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86705-90-0 | Benzene, 1-chloro-4-(1-chloro-2-methyl-2-nitropropyl)-
CAS No: 86705-90-0 Catalog No: AG004T99 MDL No:
Product Description
Catalog Number:
AG004T99
Chemical Name:
Benzene, 1-chloro-4-(1-chloro-2-methyl-2-nitropropyl)-
CAS Number:
86705-90-0
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
IUPAC Name:
1-chloro-4-(1-chloro-2-methyl-2-nitropropyl)benzene
InChI:
InChI=1S/C10H11Cl2NO2/c1-10(2,13(14)15)9(12)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3
InChI Key:
FYELYLQGDXBPQA-UHFFFAOYSA-N
SMILES:
ClC(C([N+](=O)[O-])(C)C)c1ccc(cc1)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.103g/mol
Monoisotopic Mass:
247.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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