200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 79101-81-8
79101-81-8 | Benzene, 1-methyl-4-(1-nitropropyl)-
CAS No: 79101-81-8 Catalog No: AG005MXJ MDL No:
Product Description
Catalog Number:
AG005MXJ
Chemical Name:
Benzene, 1-methyl-4-(1-nitropropyl)-
CAS Number:
79101-81-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-methyl-4-(1-nitropropyl)benzene
InChI:
InChI=1S/C10H13NO2/c1-3-10(11(12)13)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChI Key:
FEDLPCWVGFRDQE-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.