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19852-61-0 | Cyclohexanone, 2,2-dichloro-4-(1,1-dimethylethyl)-
CAS No: 19852-61-0 Catalog No: AG002BLL MDL No:
Product Description
Catalog Number:
AG002BLL
Chemical Name:
Cyclohexanone, 2,2-dichloro-4-(1,1-dimethylethyl)-
CAS Number:
19852-61-0
Molecular Formula:
C10H16Cl2O
Molecular Weight:
223.1394
IUPAC Name:
4-tert-butyl-2,2-dichlorocyclohexan-1-one
InChI:
InChI=1S/C10H16Cl2O/c1-9(2,3)7-4-5-8(13)10(11,12)6-7/h7H,4-6H2,1-3H3
InChI Key:
YNZUYLPSXHBOQY-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1(Cl)Cl)C(C)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.137g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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