AG00IF34

883987-72-2 | Benzoic acid, 3-fluoro-5-nitro-, methyl ester

AG00IF34

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CAS Number	883987-72-2
Catalog Number	AG00IF34(AGN-PC-06MYE9)
Chemical Name	Benzoic acid, 3-fluoro-5-nitro-, methyl ester
IUPAC Name	methyl 3-fluoro-5-nitrobenzoate
InChI	InChI=1S/C8H6FNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
InChI Key	BMUQWLIUUPZAOK-UHFFFAOYSA-N
MDL Number	MFCD12172991
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(F)=C1
Synonyms	METHYL 3-FLUORO-5-NITROBENZOATE, 883987-72-2, MEHTYL 3-FLUORO-5-NITROBENZOATE, 3-Fluoro-5-nitro-benzoic acid methyl ester, SCHEMBL1099317, methyl-3-fluoro-5-nitrobenzoate, DTXSID10656052, BMUQWLIUUPZAOK-UHFFFAOYSA-N, MFCD12172991, ZINC35333519, AKOS009485782, AJ-91324, PS-10524, SY128703, 3-Fluoro-5-nitrobenzoic acid methyl ester, CS-0061829, MFCD12172991 (95%), Benzoic acid, 3-fluoro-5-nitro-, methyl ester, W-3156, Methyl3-fluoro-5-nitrobenzoate,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.028g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.137g/mol
Monoisotopic Mass	199.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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