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18102-22-2 | Benzene, 1-(chloromethyl)-2,5-dimethyl-3-nitro-
CAS No: 18102-22-2 Catalog No: AG0022ML MDL No:
Product Description
Catalog Number:
AG0022ML
Chemical Name:
Benzene, 1-(chloromethyl)-2,5-dimethyl-3-nitro-
CAS Number:
18102-22-2
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
1-(chloromethyl)-2,5-dimethyl-3-nitrobenzene
InChI:
InChI=1S/C9H10ClNO2/c1-6-3-8(5-10)7(2)9(4-6)11(12)13/h3-4H,5H2,1-2H3
InChI Key:
SWQXXMKOWPDMLW-UHFFFAOYSA-N
SMILES:
ClCc1cc(C)cc(c1C)[N+](=O)[O-]
Properties
Complexity:
193
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:
2.9
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