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28903-23-3 | Butanediol, dichloro- (7CI,8CI,9CI)
CAS No: 28903-23-3 Catalog No: AG002X0L MDL No:
Product Description
Catalog Number:
AG002X0L
Chemical Name:
Butanediol, dichloro- (7CI,8CI,9CI)
CAS Number:
28903-23-3
Molecular Formula:
C4H8Cl2O2
Molecular Weight:
159.0111
IUPAC Name:
1,2-dichlorobutane-1,1-diol
InChI:
InChI=1S/C4H8Cl2O2/c1-2-3(5)4(6,7)8/h3,7-8H,2H2,1H3
InChI Key:
WJEZJQBCEGOFPP-UHFFFAOYSA-N
SMILES:
CCC(C(Cl)(O)O)Cl
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:
157.99g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.006g/mol
Monoisotopic Mass:
157.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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