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80703-89-5 | 2-Butanone, 4-(4-chlorophenyl)-3,3-dimethyl-
CAS No: 80703-89-5 Catalog No: AG0051TB MDL No:
Product Description
Catalog Number:
AG0051TB
Chemical Name:
2-Butanone, 4-(4-chlorophenyl)-3,3-dimethyl-
CAS Number:
80703-89-5
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
4-(4-chlorophenyl)-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C12H15ClO/c1-9(14)12(2,3)8-10-4-6-11(13)7-5-10/h4-7H,8H2,1-3H3
InChI Key:
KQYDWKBGHOJTRR-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cc1ccc(cc1)Cl)(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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