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14500-58-4 | Benzene, 1-(1-chloro-1-methylethyl)-4-nitro-
CAS No: 14500-58-4 Catalog No: AG001KG0 MDL No:
Product Description
Catalog Number:
AG001KG0
Chemical Name:
Benzene, 1-(1-chloro-1-methylethyl)-4-nitro-
CAS Number:
14500-58-4
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
1-(2-chloropropan-2-yl)-4-nitrobenzene
InChI:
InChI=1S/C9H10ClNO2/c1-9(2,10)7-3-5-8(6-4-7)11(12)13/h3-6H,1-2H3
InChI Key:
WZDVAXOJQKDXMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(Cl)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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