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Home > Nitro Compounds > 101418-02-4
101418-02-4 | Carbamic acid, nitrosophenyl-, 1-methylethyl ester (9CI)
CAS No: 101418-02-4 Catalog No: AG0004GB MDL No:
Product Description
Catalog Number:
AG0004GB
Chemical Name:
Carbamic acid, nitrosophenyl-, 1-methylethyl ester (9CI)
CAS Number:
101418-02-4
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
propan-2-yl N-nitroso-N-phenylcarbamate
InChI:
InChI=1S/C10H12N2O3/c1-8(2)15-10(13)12(11-14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
FKVJMYXFKFIVLA-UHFFFAOYSA-N
SMILES:
O=NN(c1ccccc1)C(=O)OC(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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