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101021-57-2 | 1,4-Butanediol, 2-chloro-, (2R)-
CAS No: 101021-57-2 Catalog No: AG0003KS MDL No:
Product Description
Catalog Number:
AG0003KS
Chemical Name:
1,4-Butanediol, 2-chloro-, (2R)-
CAS Number:
101021-57-2
Molecular Formula:
C4H9ClO2
Molecular Weight:
124.5661
IUPAC Name:
2-chlorobutane-1,4-diol
InChI:
InChI=1S/C4H9ClO2/c5-4(3-7)1-2-6/h4,6-7H,1-3H2
InChI Key:
OCOGQKHYBDIKJQ-UHFFFAOYSA-N
SMILES:
OCC[C@H](CO)Cl
Properties
Complexity:
40.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.029g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
124.564g/mol
Monoisotopic Mass:
124.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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