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1248541-72-1 | Benzoic acid, 2-amino-5-methyl-3-nitro-, methyl ester
CAS No: 1248541-72-1 Catalog No: AG000MSS MDL No:MFCD20037605
Product Description
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-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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