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125781-03-5 | 2-Propanol, 3-chloro-1,1-diethoxy-, (S)- (9CI)
CAS No: 125781-03-5 Catalog No: AG000OPS MDL No:
Product Description
Catalog Number:
AG000OPS
Chemical Name:
2-Propanol, 3-chloro-1,1-diethoxy-, (S)- (9CI)
CAS Number:
125781-03-5
Molecular Formula:
C7H15ClO3
Molecular Weight:
182.6452
IUPAC Name:
3-chloro-1,1-diethoxypropan-2-ol
InChI:
InChI=1S/C7H15ClO3/c1-3-10-7(11-4-2)6(9)5-8/h6-7,9H,3-5H2,1-2H3
InChI Key:
NMEDRIAZFORLQA-UHFFFAOYSA-N
SMILES:
CCOC([C@@H](CCl)O)OCC
Properties
Complexity:
83.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.644g/mol
Monoisotopic Mass:
182.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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