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Home > Nitro Compounds > 114041-05-3
114041-05-3 | Carbamic acid, diethyl-, (4-nitrophenyl)methyl ester (9CI)
CAS No: 114041-05-3 Catalog No: AG000ADD MDL No:
Product Description
Catalog Number:
AG000ADD
Chemical Name:
Carbamic acid, diethyl-, (4-nitrophenyl)methyl ester (9CI)
CAS Number:
114041-05-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
(4-nitrophenyl)methyl N,N-diethylcarbamate
InChI:
InChI=1S/C12H16N2O4/c1-3-13(4-2)12(15)18-9-10-5-7-11(8-6-10)14(16)17/h5-8H,3-4,9H2,1-2H3
InChI Key:
CYTFHDGIVJECMH-UHFFFAOYSA-N
SMILES:
CCN(C(=O)OCc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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