AG0093ZS

1131580-60-3 | 3,5-Difluoro-4-nitrobenzoic acid

AG0093ZS

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CAS Number	1131580-60-3
Catalog Number	AG0093ZS(AGN-PC-0WAHPN)
Chemical Name	3,5-Difluoro-4-nitrobenzoic acid
IUPAC Name	3,5-difluoro-4-nitrobenzoic acid
InChI	InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10(13)14/h1-2H,(H,11,12)
InChI Key	CUDACLYZECMWDR-UHFFFAOYSA-N
MDL Number	MFCD11867800
Molecular Formula	C7H3F2NO4
Molecular Weight	203.0998
SMILES	O=C(O)C1=CC(F)=C([N+]([O-])=O)C(F)=C1
Synonyms	3,5-Difluoro-4-nitrobenzoic acid, 1131580-60-3, AK146258, KS-00000S4J, MFCD11867800, ZINC40442437, AKOS022185733, DS-8487, FCH1407123, AC-28545, AJ-102294, AX8283909, ST2404633,

Complexity	243
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

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