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1,2-DICHLOROBUTANE

CAS No.:
616-21-7
Catalog Number:
AG003DE1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003DE1
Chemical Name:
1,2-DICHLOROBUTANE
CAS Number:
616-21-7
MDL Number:
MFCD00013676
IUPAC Name:
1,2-dichlorobutane
InChI:
InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChI Key:
PQBOTZNYFQWRHU-UHFFFAOYSA-N
EC Number:
210-469-5
NSC Number:
93880
Properties
Complexity:
28.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.008g/mol
Monoisotopic Mass:
126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster. Chemosphere 20070201
Recombination dynamics and hydrogen abstraction reactions of chlorine radicals in solution. The journal of physical chemistry. A 20050519
Properties