AG003KYU

1349708-91-3 | 4-Bromo-5-chloro-2-fluorobenzoic acid

AG003KYU

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CAS Number	1349708-91-3
Catalog Number	AG003KYU(AGN-PC-0WAN8F)
Chemical Name	4-Bromo-5-chloro-2-fluorobenzoic acid
IUPAC Name	4-bromo-5-chloro-2-fluorobenzoic acid
InChI	InChI=1S/C7H3BrClFO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
InChI Key	FQYCZAHBPRQWRR-UHFFFAOYSA-N
MDL Number	MFCD19686184
Molecular Formula	C7H3BrClFO2
Molecular Weight	253.4529
SMILES	O=C(O)C1=CC(Cl)=C(Br)C=C1F
Synonyms	4-Bromo-5-chloro-2-fluorobenzoic acid, 1349708-91-3, SCHEMBL16618297, FQYCZAHBPRQWRR-UHFFFAOYSA-N, 2708AJ, MFCD19686184, ZINC67802823, AKOS017557020, CS-W019357, DS-7968, 2-fluoro-4-BroMo-5-chlorobenzoic acid, AK144854, SY035139, AJ-117067, FT-0700698, ST24043442, MFCD19686184 (95%), AS-813/43501798, Z1741973623, C7H3BrClFO2,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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