AG0030QK

30650-90-9 | Benzoic acid, 3-methyl-4-nitro-, ethyl ester

AG0030QK

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CAS Number	30650-90-9
Catalog Number	AG0030QK(AGN-PC-0KL8KD)
Chemical Name	Benzoic acid, 3-methyl-4-nitro-, ethyl ester
IUPAC Name	ethyl 3-methyl-4-nitrobenzoate
InChI	InChI=1S/C10H11NO4/c1-3-15-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key	OAXJZQMFWBIRKF-UHFFFAOYSA-N
MDL Number	MFCD00115804
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	C1=C(C(=CC=C1C(OCC)=O)[N+](=O)[O-])C
Synonyms	ethyl 3-methyl-4-nitrobenzoate, 30650-90-9, Benzoic acid, 3-methyl-4-nitro-, ethyl ester, 3-methyl-4-nitrobenzoic acid ethyl ester, MFCD00115804, AC1MDWOH, ACMC-209zoi, SCHEMBL3559893, CTK4G5524, ethyl 3-methyl-4-nitro-benzoate, KS-00000FUQ, ZINC68082, DTXSID00383865, OAXJZQMFWBIRKF-UHFFFAOYSA-N, ALBB-020992, ANW-50512, STK401657, AKOS003235814, AS-8501, CCG-234470, MCULE-4447208550, VZ32112, AJ-10231, AK-25743, BP-13048, BR-25743, CJ-00560, SY018772, ZB002578, AB0024101, DB-047825, ST2412978, TR-013133, FT-0638930, ST50407042, TL80090878, W5299, Benzoic acid,3-methyl-4-nitro-, ethyl ester, MFCD00115804 (95%), M-5597, A820468, I14-107492, C10H11NO4, ZINC00068082, ETHYL3-METHYL-4-NITROBENZOATE, CID2796918,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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