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Home > Nitro Compounds > 667452-47-3
667452-47-3 | 1-ethyl-4-(2-nitroethenyl)benzene
CAS No: 667452-47-3 Catalog No: AG01A21F MDL No:
Product Description
Catalog Number:
AG01A21F
Chemical Name:
1-ethyl-4-(2-nitroethenyl)benzene
CAS Number:
667452-47-3
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1-ethyl-4-(2-nitroethenyl)benzene
InChI:
InChI=1S/C10H11NO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3
InChI Key:
IZWSBQRAUOSJFM-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C=C[N+](=O)[O-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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