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Home > Nitro Compounds > 943-15-7
943-15-7 | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
CAS No: 943-15-7 Catalog No: AG00II1E MDL No:MFCD00007176
Product Description
Catalog Number:
AG00II1E
Chemical Name:
Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
CAS Number:
943-15-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00007176
IUPAC Name:
1-methyl-2-nitro-4-propan-2-ylbenzene
InChI:
InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3
InChI Key:
DRKFWQDBPGTSOO-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)[N+](=O)[O-])C)C
EC Number:
213-397-2
NSC Number:
9839
Properties
Complexity:
186
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:
3.2
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