200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1817-77-2
1817-77-2 | Benzene, 1-nitro-4-(phenylmethyl)-
CAS No: 1817-77-2 Catalog No: AG002329 MDL No:MFCD00024783
Product Description
Catalog Number:
AG002329
Chemical Name:
Benzene, 1-nitro-4-(phenylmethyl)-
CAS Number:
1817-77-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00024783
IUPAC Name:
1-benzyl-4-nitrobenzene
InChI:
InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
IDSGFSCSMXRJON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.