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Home > Nitro Compounds > 163423-99-2
163423-99-2 | Carbamic acid, N-[(2-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 163423-99-2 Catalog No: AG001U3J MDL No:
Product Description
Catalog Number:
AG001U3J
Chemical Name:
Carbamic acid, N-[(2-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
163423-99-2
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
tert-butyl N-[(2-nitrophenyl)methyl]carbamate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)13-8-9-6-4-5-7-10(9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)
InChI Key:
GNWHYSSSRGMBOG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
306
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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