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Home > Nitro Compounds > 76206-38-7
76206-38-7 | Carbamic acid,butylnitroso-, 1-naphthalenyl ester (9CI)
CAS No: 76206-38-7 Catalog No: AG005RNL MDL No:
Product Description
Catalog Number:
AG005RNL
Chemical Name:
Carbamic acid,butylnitroso-, 1-naphthalenyl ester (9CI)
CAS Number:
76206-38-7
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
naphthalen-1-yl N-butyl-N-nitrosocarbamate
InChI:
InChI=1S/C15H16N2O3/c1-2-3-11-17(16-19)15(18)20-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
InChI Key:
UBTGLESVPRABPB-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Oc1cccc2c1cccc2)N=O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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