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Home > Nitro Compounds > 76206-36-5
76206-36-5 | Carbamic acid,ethylnitroso-, 1-naphthalenyl ester (9CI)
CAS No: 76206-36-5 Catalog No: AG005EVS MDL No:
Product Description
Catalog Number:
AG005EVS
Chemical Name:
Carbamic acid,ethylnitroso-, 1-naphthalenyl ester (9CI)
CAS Number:
76206-36-5
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
naphthalen-1-yl N-ethyl-N-nitrosocarbamate
InChI:
InChI=1S/C13H12N2O3/c1-2-15(14-17)13(16)18-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChI Key:
HLTSAAUNFXIGTA-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Oc1cccc2c1cccc2)N=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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