Name: Name:Benzoic acid, 2-amino-5-methyl-3-nitro-, methyl ester
Brand: Angene
SKU: AG000MSS
Rating: 90 (10 reviews)

Benzoic acid, 2-amino-5-methyl-3-nitro-, methyl ester

CAS No.:

1248541-72-1

Catalog Number:

AG000MSS

Molecular Formula:

C9H10N2O4

Molecular Weight:

210.1867

Catalog Number:

AG000MSS

Chemical Name:

Benzoic acid, 2-amino-5-methyl-3-nitro-, methyl ester

CAS Number:

1248541-72-1

Molecular Formula:

C9H10N2O4

Molecular Weight:

210.1867

MDL Number:

MFCD20037605

IUPAC Name:

methyl 2-amino-5-methyl-3-nitrobenzoate

InChI:

InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)8(10)7(4-5)11(13)14/h3-4H,10H2,1-2H3

InChI Key:

BMVWWCPPMDIQTE-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(C)cc(c1N)[N+](=O)[O-]

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.189g/mol

Monoisotopic Mass:

210.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8