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141942-66-7 | 1,5-Pentanediol, 2,2-dichloro-
CAS No: 141942-66-7 Catalog No: AG001HFT MDL No:
Product Description
Catalog Number:
AG001HFT
Chemical Name:
1,5-Pentanediol, 2,2-dichloro-
CAS Number:
141942-66-7
Molecular Formula:
C5H10Cl2O2
Molecular Weight:
173.0377
IUPAC Name:
2,2-dichloropentane-1,5-diol
InChI:
InChI=1S/C5H10Cl2O2/c6-5(7,4-9)2-1-3-8/h8-9H,1-4H2
InChI Key:
AAQBILGCTDLJJQ-UHFFFAOYSA-N
SMILES:
OCCCC(CO)(Cl)Cl
Properties
Complexity:
75.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.033g/mol
Monoisotopic Mass:
172.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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