Home Halogens 1-chlorobutane-2,3-dione

1-chlorobutane-2,3-dione

CAS No.:
5559-62-6
Catalog Number:
AG00DL80
Molecular Formula:
C4H5ClO2
Molecular Weight:
120.5343
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Product Description
Catalog Number:
AG00DL80
Chemical Name:
1-chlorobutane-2,3-dione
CAS Number:
5559-62-6
Molecular Formula:
C4H5ClO2
Molecular Weight:
120.5343
MDL Number:
MFCD18806712
IUPAC Name:
1-chlorobutane-2,3-dione
InChI:
InChI=1S/C4H5ClO2/c1-3(6)4(7)2-5/h2H2,1H3
InChI Key:
AHPSZWVDPABXPI-UHFFFAOYSA-N
SMILES:
CC(=O)C(=O)CCl
EC Number:
226-928-8
Properties
Complexity:
97.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.998g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.532g/mol
Monoisotopic Mass:
119.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties