AG0002OM

1007113-04-3 | Benzoic acid, 5-fluoro-3-methoxy-2-nitro-

AG0002OM

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CAS Number	1007113-04-3
Catalog Number	AG0002OM(AGN-PC-0H729L)
Chemical Name	Benzoic acid, 5-fluoro-3-methoxy-2-nitro-
IUPAC Name	5-fluoro-3-methoxy-2-nitrobenzoic acid
InChI	InChI=1S/C8H6FNO5/c1-15-6-3-4(9)2-5(8(11)12)7(6)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	JKBWWRZRHVTZAW-UHFFFAOYSA-N
MDL Number	MFCD22565642
Molecular Formula	C8H6FNO5
Molecular Weight	215.1353
SMILES	O=C(O)C1=CC(F)=CC(OC)=C1[N+]([O-])=O
Synonyms	5-Fluoro-3-methoxy-2-nitrobenzoic acid, 1007113-04-3, SCHEMBL1004753, DTXSID70735938, JKBWWRZRHVTZAW-UHFFFAOYSA-N, MFCD22565642, ZINC95628789, DS-5841, QC-8818, AK137395, AB0097568, AJ-133071, AX8258963, Benzoic acid, 5-fluoro-3-methoxy-2-nitro-, Z-8848,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.023g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.136g/mol
Monoisotopic Mass	215.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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