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113661-81-7 | Butane, dichlorodifluoro- (9CI)
CAS No: 113661-81-7 Catalog No: AG00098S MDL No:
Product Description
Catalog Number:
AG00098S
Chemical Name:
Butane, dichlorodifluoro- (9CI)
CAS Number:
113661-81-7
Molecular Formula:
C4H6Cl2F2
Molecular Weight:
162.9932
IUPAC Name:
1,2-dichloro-1,1-difluorobutane
InChI:
InChI=1S/C4H6Cl2F2/c1-2-3(5)4(6,7)8/h3H,2H2,1H3
InChI Key:
ZLNAFCXWBAWDKH-UHFFFAOYSA-N
SMILES:
CC(C(Cl)(F)C)(Cl)F
Properties
Complexity:
74.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.981g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.989g/mol
Monoisotopic Mass:
161.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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