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129356-57-6 | Benzoic acid, 2-[(dimethylamino)carbonyl]-3-nitro-, methyl ester
CAS No: 129356-57-6 Catalog No: AG000Z2T MDL No:
Product Description
Catalog Number:
AG000Z2T
Chemical Name:
Benzoic acid, 2-[(dimethylamino)carbonyl]-3-nitro-, methyl ester
CAS Number:
129356-57-6
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
methyl 2-(dimethylcarbamoyl)-3-nitrobenzoate
InChI:
InChI=1S/C11H12N2O5/c1-12(2)10(14)9-7(11(15)18-3)5-4-6-8(9)13(16)17/h4-6H,1-3H3
InChI Key:
ZYHYBRKUOUCZTB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C(=O)N(C)C)[N+](=O)[O-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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