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149489-33-8 | Hydrazinecarboxylic acid, 2-(4-nitrophenyl)-, propyl ester
CAS No: 149489-33-8 Catalog No: AG001LQM MDL No:
Product Description
Catalog Number:
AG001LQM
Chemical Name:
Hydrazinecarboxylic acid, 2-(4-nitrophenyl)-, propyl ester
CAS Number:
149489-33-8
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
propyl N-(4-nitroanilino)carbamate
InChI:
InChI=1S/C10H13N3O4/c1-2-7-17-10(14)12-11-8-3-5-9(6-4-8)13(15)16/h3-6,11H,2,7H2,1H3,(H,12,14)
InChI Key:
XBVOISDZCOEORT-UHFFFAOYSA-N
SMILES:
CCCOC(=O)NNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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