AG00G9F9

80257-12-1 | Benzoic acid, 3-broMo-2,6-dichloro-

AG00G9F9

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CAS Number	80257-12-1
Catalog Number	AG00G9F9(AGN-PC-0WBR9C)
Chemical Name	Benzoic acid, 3-broMo-2,6-dichloro-
IUPAC Name	3-bromo-2,6-dichlorobenzoic acid
InChI	InChI=1S/C7H3BrCl2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H,11,12)
InChI Key	UPXIKFYPSUMMSP-UHFFFAOYSA-N
MDL Number	MFCD18432783
Molecular Formula	C7H3BrCl2O2
Molecular Weight	269.9075
SMILES	c1(ccc(c(c1Cl)C(=O)O)Cl)Br
Synonyms	3-BROMO-2,6-DICHLOROBENZOIC ACID, 80257-12-1, 2,6-DICHLORO-3-BROMOBENZOIC ACID, SCHEMBL3836851, KS-000008EM, 3-Bromo-2,6-dichloro-benzoic acid, MFCD18432783, ZINC34465090, AKOS017552462, PB33431, AS-34926, DB-075670, CS-0051486, FT-0701872, BENZOIC ACID, 3-BROMO-2,6-DICHLORO-, Q-2477,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.869g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.903g/mol
Monoisotopic Mass	267.869g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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