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95333-96-3 | Benzenepropanol, 3,5-dichloro-
CAS No: 95333-96-3 Catalog No: AG01FF41 MDL No:
Product Description
Catalog Number:
AG01FF41
Chemical Name:
Benzenepropanol, 3,5-dichloro-
CAS Number:
95333-96-3
Molecular Formula:
C9H10Cl2O
Molecular Weight:
205.0811
IUPAC Name:
3-(3,5-dichlorophenyl)propan-1-ol
InChI:
InChI=1S/C9H10Cl2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6,12H,1-3H2
InChI Key:
SFYHVNQQBNMCOP-UHFFFAOYSA-N
SMILES:
OCCCc1cc(Cl)cc(c1)Cl
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.078g/mol
Monoisotopic Mass:
204.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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