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Home > Nitro Compounds > 956076-89-4
956076-89-4 | ethyl (6-nitro-1,3-benzodioxol-5-yl)carbamate
CAS No: 956076-89-4 Catalog No: AG00JH6K MDL No:MFCD09788311
Product Description
Catalog Number:
AG00JH6K
Chemical Name:
ethyl (6-nitro-1,3-benzodioxol-5-yl)carbamate
CAS Number:
956076-89-4
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
MDL Number:
MFCD09788311
IUPAC Name:
ethyl N-(6-nitro-1,3-benzodioxol-5-yl)carbamate
InChI:
InChI=1S/C10H10N2O6/c1-2-16-10(13)11-6-3-8-9(18-5-17-8)4-7(6)12(14)15/h3-4H,2,5H2,1H3,(H,11,13)
InChI Key:
IZHXXTQPSBEDRL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1NC(=O)OCC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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