AG00CASG

331765-71-0 | 3,5-Difluoro-2-nitrobenzoic acid

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CAS Number	331765-71-0
Catalog Number	AG00CASG(AGN-PC-0WAMQU)
Chemical Name	3,5-Difluoro-2-nitrobenzoic acid
IUPAC Name	3,5-difluoro-2-nitrobenzoic acid
InChI	InChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12)
InChI Key	ZBEWIPTYUHHZIS-UHFFFAOYSA-N
MDL Number	MFCD04035649
Molecular Formula	C7H3F2NO4
Molecular Weight	203.0998
SMILES	OC(=O)C1=C(C(F)=CC(F)=C1)[N+]([O-])=O
Synonyms	3,5-difluoro-2-nitrobenzoic acid, 331765-71-0, 3,5-difluoro-2-nitro-benzoic Acid, AK-68123, AC1MD4D8, SCHEMBL1202494, CTK7B8190, KS-00000OJQ, DTXSID00382611, ZBEWIPTYUHHZIS-UHFFFAOYSA-N, 2-Carboxy-4,6-difluoronitrobenzene, ZINC2523066, ZX-AP002541, ANW-54829, MFCD04035649, PC0922, SBB093062, AKOS016001226, FCH1322392, ACM331765710, AJ-37269, DS-16870, AX8210948, TC-143574, CS-0028788, Z-5031, 3,5-Difluoro-2-nitrobenzoicacid, CID2783365,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.003g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.101g/mol
Monoisotopic Mass	203.003g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number