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20132-75-6 | Benzoic acid, 4-(aminocarbonyl)-2-nitro-, methyl ester
CAS No: 20132-75-6 Catalog No: AG002DBQ MDL No:
Product Description
Catalog Number:
AG002DBQ
Chemical Name:
Benzoic acid, 4-(aminocarbonyl)-2-nitro-, methyl ester
CAS Number:
20132-75-6
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
IUPAC Name:
methyl 4-carbamoyl-2-nitrobenzoate
InChI:
InChI=1S/C9H8N2O5/c1-16-9(13)6-3-2-5(8(10)12)4-7(6)11(14)15/h2-4H,1H3,(H2,10,12)
InChI Key:
OYZKIZQJLPADLO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N
EC Number:
243-537-8
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.172g/mol
Monoisotopic Mass:
224.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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