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Home > Nitro Compounds > 29559-27-1
29559-27-1 | Benzene, 1-methyl-4-(nitromethyl)-
CAS No: 29559-27-1 Catalog No: AG002YR5 MDL No:
Product Description
Catalog Number:
AG002YR5
Chemical Name:
Benzene, 1-methyl-4-(nitromethyl)-
CAS Number:
29559-27-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
1-methyl-4-(nitromethyl)benzene
InChI:
InChI=1S/C8H9NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3
InChI Key:
SCLRUEQYJQUIJT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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