AG00IIVU

952479-97-9 | Benzoicacid, 5-fluoro-3-methyl-2-nitro-, methyl ester

AG00IIVU

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	952479-97-9
Catalog Number	AG00IIVU(AGN-PC-0W4TNN)
Chemical Name	Benzoicacid, 5-fluoro-3-methyl-2-nitro-, methyl ester
IUPAC Name	methyl 5-fluoro-3-methyl-2-nitrobenzoate
InChI	InChI=1S/C9H8FNO4/c1-5-3-6(10)4-7(9(12)15-2)8(5)11(13)14/h3-4H,1-2H3
InChI Key	VFTXULHKYAMECP-UHFFFAOYSA-N
MDL Number	MFCD11977399
Molecular Formula	C9H8FNO4
Molecular Weight	213.1625
SMILES	O=C(OC)C1=CC(F)=CC(C)=C1[N+]([O-])=O
Synonyms	METHYL 5-FLUORO-3-METHYL-2-NITROBENZOATE, 952479-97-9, 5-fluoro-3-methyl-2-nitrobenzoic acid methyl ester, SCHEMBL1056662, CTK5H7589, DTXSID30696995, VFTXULHKYAMECP-UHFFFAOYSA-N, ZINC71625029, AKOS022173426, CM-1651, NE15367, AJ-118408, methyl 5-fluoro-3-methyl-2-nitro-benzoate, methyl 5-fluoranyl-3-methyl-2-nitro-benzoate, A845249, Benzoicacid, 5-fluoro-3-methyl-2-nitro-, methyl ester, Benzoic acid, 5-fluoro-3-methyl-2-nitro-, methyl ester,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.044g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.164g/mol
Monoisotopic Mass	213.044g/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

Lot Number