AG005NMC

741721-49-3 | 2,5-Difluoro-3-nitrobenzoic acid

AG005NMC

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CAS Number	741721-49-3
Catalog Number	AG005NMC(AGN-PC-00PZMC)
Chemical Name	2,5-Difluoro-3-nitrobenzoic acid
IUPAC Name	2,5-difluoro-3-nitrobenzoic acid
InChI	InChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key	KMUYMGMBJNSLQM-UHFFFAOYSA-N
MDL Number	MFCD11848537
Molecular Formula	C7H3F2NO4
Molecular Weight	203.0998
SMILES	O=C(O)C1=CC(F)=CC([N+]([O-])=O)=C1F
Synonyms	2,5-DIFLUORO-3-NITROBENZOIC ACID, 741721-49-3, ACMC-209otl, SCHEMBL912596, CTK8B2263, DTXSID00575960, KMUYMGMBJNSLQM-UHFFFAOYSA-N, 2,5-difluoro-3-nitro-benzoic acid, ANW-36439, ZINC34613227, Benzoic acid, 2,5-difluoro-3-nitro-, FS-5639, AJ-89748, TC-125184, V7568, C7H3F2NO4,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number