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13547-70-1 | 1-Chloropinacolone
CAS No: 13547-70-1 Catalog No: AG003B1J MDL No:MFCD00035688
Product Description
Catalog Number:
AG003B1J
Chemical Name:
1-Chloropinacolone
CAS Number:
13547-70-1
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
MDL Number:
MFCD00035688
IUPAC Name:
1-chloro-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChI Key:
ULSAJQMHTGKPIY-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(C)(C)C
EC Number:
236-920-6
UNII:
Z6QD905NNW
Properties
Complexity:
91.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.603g/mol
Monoisotopic Mass:
134.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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