200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87649-45-4
87649-45-4 | Naphthalene, 1,2-dihydro-3-(nitromethyl)-
CAS No: 87649-45-4 Catalog No: AG004HIZ MDL No:
Product Description
Catalog Number:
AG004HIZ
Chemical Name:
Naphthalene, 1,2-dihydro-3-(nitromethyl)-
CAS Number:
87649-45-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3-(nitromethyl)-1,2-dihydronaphthalene
InChI:
InChI=1S/C11H11NO2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7H,5-6,8H2
InChI Key:
WVKIDOVZHMZYMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1=Cc2c(CC1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.