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Home > Nitro Compounds > 1056474-04-4
1056474-04-4 | 1-tert-butyl-4-(2-nitroethenyl)benzene
CAS No: 1056474-04-4 Catalog No: AG01A27V MDL No:MFCD00176730
Product Description
Catalog Number:
AG01A27V
Chemical Name:
1-tert-butyl-4-(2-nitroethenyl)benzene
CAS Number:
1056474-04-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00176730
IUPAC Name:
1-tert-butyl-4-(2-nitroethenyl)benzene
InChI:
InChI=1S/C12H15NO2/c1-12(2,3)11-6-4-10(5-7-11)8-9-13(14)15/h4-9H,1-3H3
InChI Key:
IJWOILQYJXJHTF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C=C[N+](=O)[O-])(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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