AG0010BI

1321613-01-7 | Benzoic acid, 4-bromo-2-chloro-6-fluoro-

AG0010BI

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CAS Number	1321613-01-7
Catalog Number	AG0010BI(AGN-PC-0WAMFC)
Chemical Name	Benzoic acid, 4-bromo-2-chloro-6-fluoro-
IUPAC Name	4-bromo-2-chloro-6-fluorobenzoic acid
InChI	InChI=1S/C7H3BrClFO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key	DKMRNJAOJFCMPT-UHFFFAOYSA-N
MDL Number	MFCD18917163
Molecular Formula	C7H3BrClFO2
Molecular Weight	253.4529
SMILES	O=C(O)C1=C(F)C=C(Br)C=C1Cl
Synonyms	4-Bromo-2-chloro-6-fluorobenzoic acid, 1321613-01-7, 4-BROMO-2-FLUORO-6-CHLOROBENZOIC ACID, SCHEMBL516744, DTXSID40693218, CL8915, MFCD18917163, ZINC67802618, AKOS026670916, FCH1348200, AK191616, DS-10028, PC301202, AB0087530, AX8267151, Benzoic acid, 4-bromo-2-chloro-6-fluoro-, X-3688,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.899g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.451g/mol
Monoisotopic Mass	251.899g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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