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Home > Nitro Compounds > 138516-96-8
138516-96-8 | Carbamic acid, (4-nitrophenyl)-, tridecyl ester (9CI)
CAS No: 138516-96-8 Catalog No: AG0019CP MDL No:
Product Description
Catalog Number:
AG0019CP
Chemical Name:
Carbamic acid, (4-nitrophenyl)-, tridecyl ester (9CI)
CAS Number:
138516-96-8
Molecular Formula:
C20H32N2O4
Molecular Weight:
364.4791
IUPAC Name:
tridecyl N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-26-20(23)21-18-13-15-19(16-14-18)22(24)25/h13-16H,2-12,17H2,1H3,(H,21,23)
InChI Key:
UQHZOFUNBATQQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.486g/mol
Monoisotopic Mass:
364.236g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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