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17687-63-7 | 2-Butanone, 1-chloro-3-methyl-
CAS No: 17687-63-7 Catalog No: AG0024YH MDL No:MFCD19160714
Product Description
Catalog Number:
AG0024YH
Chemical Name:
2-Butanone, 1-chloro-3-methyl-
CAS Number:
17687-63-7
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD19160714
IUPAC Name:
1-chloro-3-methylbutan-2-one
InChI:
InChI=1S/C5H9ClO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
InChI Key:
GGTWUPLPAPTFAR-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(C)C
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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