AG00C33V

28314-83-2 | 5-Bromo-2,4-difluoro-benzoic acid

AG00C33V

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CAS Number	28314-83-2
Catalog Number	AG00C33V(AGN-PC-0NGVY3)
Chemical Name	5-Bromo-2,4-difluoro-benzoic acid
IUPAC Name	5-bromo-2,4-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)
InChI Key	BLSMDXUAEFVYID-UHFFFAOYSA-N
MDL Number	MFCD04115714
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	O=C(O)C1=CC(Br)=C(F)C=C1F
Synonyms	5-BROMO-2,4-DIFLUOROBENZOIC ACID, 28314-83-2, 5-bromo-2,4-difluoro-benzoic Acid, 3-Bromo-4,6-difluorobenzoic Acid, Benzoic acid, 5-bromo-2,4-difluoro-, 5-Bromo-2,4-difluorobenzoicacid, ACMC-209np8, SCHEMBL366568, CTK0J2116, KS-00000PPO, DTXSID30457301, BLSMDXUAEFVYID-UHFFFAOYSA-N, ACT14356, ANW-34986, MFCD04115714, ZINC35570465, AKOS015888467, DS-4452, MCULE-1081261654, NE12825, AJ-91597, AK105135, SY115506, TX-017170, CS-0040475, FT-0663705, V7123, MFCD04115714 (95%), AS-813/43501744, I01-10979, Z1860991567, C7H3BrF2O2, CID11160728, 651027-08-6,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.928g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237g/mol
Monoisotopic Mass	235.928g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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