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Home > Nitro Compounds > 94373-85-0
94373-85-0 | Carbamic acid, (4-nitrophenyl)-, nonyl ester
CAS No: 94373-85-0 Catalog No: AG00H7SW MDL No:
Product Description
Catalog Number:
AG00H7SW
Chemical Name:
Carbamic acid, (4-nitrophenyl)-, nonyl ester
CAS Number:
94373-85-0
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
IUPAC Name:
nonyl N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-8-13-22-16(19)17-14-9-11-15(12-10-14)18(20)21/h9-12H,2-8,13H2,1H3,(H,17,19)
InChI Key:
ZYXMMJPCMVOXSC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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