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141788-33-2 | Benzene, 1,2-bis(chloromethyl)-4-(1,1-dimethylethyl)-
CAS No: 141788-33-2 Catalog No: AG001H6X MDL No:
Product Description
Catalog Number:
AG001H6X
Chemical Name:
Benzene, 1,2-bis(chloromethyl)-4-(1,1-dimethylethyl)-
CAS Number:
141788-33-2
Molecular Formula:
C12H16Cl2
Molecular Weight:
231.1614
IUPAC Name:
4-tert-butyl-1,2-bis(chloromethyl)benzene
InChI:
InChI=1S/C12H16Cl2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,7-8H2,1-3H3
InChI Key:
ZDRSEVCJTGMTRQ-UHFFFAOYSA-N
SMILES:
ClCc1cc(ccc1CCl)C(C)(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.16g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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