AG000C77

1163287-01-1 | Benzoic acid, 4-fluoro-2-methyl-5-nitro-, methyl ester

AG000C77

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CAS Number	1163287-01-1
Catalog Number	AG000C77(AGN-PC-0WAZZP)
Chemical Name	Benzoic acid, 4-fluoro-2-methyl-5-nitro-, methyl ester
IUPAC Name	methyl 4-fluoro-2-methyl-5-nitrobenzoate
InChI	InChI=1S/C9H8FNO4/c1-5-3-7(10)8(11(13)14)4-6(5)9(12)15-2/h3-4H,1-2H3
InChI Key	JUCFNZJKUATDQS-UHFFFAOYSA-N
MDL Number	MFCD14581697
Molecular Formula	C9H8FNO4
Molecular Weight	213.1625
SMILES	FC1=CC(=C(C(=O)OC)C=C1[N+](=O)[O-])C
Synonyms	Methyl 4-fluoro-2-methyl-5-nitrobenzoate, 1163287-01-1, METHYL 4-FLUORO-2-METHY-5-NITROBENZOATE, 5-Fluoro-2-(methoxycarbonyl)-4-nitrotoluene, SCHEMBL471041, CTK4A9741, DTXSID20679878, JUCFNZJKUATDQS-UHFFFAOYSA-N, ACT14314, CK1100, MFCD14581697, ZINC64370276, AKOS015995475, AS00097, CM12771, GS-5938, KS-0000265U, SC-70846, AB0030641, AJ-114857, 4CH-022336, CS-0061240, ST24047922, X2850, 2-Fluoro-5-(methoxycarbonyl)-4-methylnitrobenzene, METHYL 4-FLUORO-2-METHYL-5-NITROBENZOATE 98%, Benzoic acid, 4-fluoro-2-methyl-5-nitro-, methyl ester, C9H8FNO4, 3-Chloro-2,2-bis-chloromethyl-propionic acid,

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

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