200,000+ products from a single source!
sales@angenechem.com
16714-77-5 | 2-Butanone, 1,3-dichloro-
CAS No: 16714-77-5 Catalog No: AG001X62 MDL No:
Product Description
Catalog Number:
AG001X62
Chemical Name:
2-Butanone, 1,3-dichloro-
CAS Number:
16714-77-5
Molecular Formula:
C4H6Cl2O
Molecular Weight:
140.9958
IUPAC Name:
1,3-dichlorobutan-2-one
InChI:
InChI=1S/C4H6Cl2O/c1-3(6)4(7)2-5/h3H,2H2,1H3
InChI Key:
HAOIWZWGAUKVBO-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(Cl)C
EC Number:
240-767-0
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.98g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.991g/mol
Monoisotopic Mass:
139.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.