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BD140 [for Albumin binding assay] | CAS 1201643-08-4

Catalog Number	Size	Price	Quantity
F01-0255	100 mg	$819
F01-0255	1 g	$3599

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Synonyms	2,2-difluoro-6-methyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene; 4,4-Difluoro-1-methyl-3-(4-propoxystyryl)-4-bora-3a,4a-diaza-s-indacene; (E)-5,5-Difluoro-1-methyl-3-(4-propoxystyryl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
Purity	>98.0% by GC
IUPAC Name	2,2-difluoro-6-methyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Canonical SMILES	[B-]1(N2C(=CC(=C2C=C3[N+]1=CC=C3)C)C=CC4=CC=C(C=C4)OCCC)(F)F
InChI	InChI=1S/C21H21BF2N2O/c1-3-13-27-20-10-7-17(8-11-20)6-9-19-14-16(2)21-15-18-5-4-12-25(18)22(23,24)26(19)21/h4-12,14-15H,3,13H2,1-2H3/b9-6+
InChIKey	NDQRWYKJLFZGBK-RMKNXTFCSA-N
Appearance	Solid

Maximum Absorption Wavelength	565(CH2Cl2) nm
Condition To Avoid	Light Sensitive
Signal	Warning
GHSHazardStatements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	366.1714998 g/mol
Monoisotopic Mass	366.1714998 g/mol
Topological Polar Surface Area	17.2Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	680
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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