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Home > Nitro Compounds > 23132-52-7
23132-52-7 | Benzene, 1-(1,1-dimethylethyl)-3-nitro-
CAS No: 23132-52-7 Catalog No: AG002MAL MDL No:MFCD00086569
Product Description
Catalog Number:
AG002MAL
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-3-nitro-
CAS Number:
23132-52-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00086569
IUPAC Name:
1-tert-butyl-3-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7H,1-3H3
InChI Key:
ZKRDQLBHUZNPGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C(C)(C)C
EC Number:
245-443-2
Properties
Complexity:
190
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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