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267003-39-4 | 3-(3,4-Dichlorophenyl)-3-pentanol
CAS No: 267003-39-4 Catalog No: AG01FEII MDL No:
Product Description
Catalog Number:
AG01FEII
Chemical Name:
3-(3,4-Dichlorophenyl)-3-pentanol
CAS Number:
267003-39-4
Molecular Formula:
C11H14Cl2O
Molecular Weight:
233.1343
IUPAC Name:
3-(3,4-dichlorophenyl)pentan-3-ol
InChI:
InChI=1S/C11H14Cl2O/c1-3-11(14,4-2)8-5-6-9(12)10(13)7-8/h5-7,14H,3-4H2,1-2H3
InChI Key:
ZCMZSKSQVNYXDB-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)Cl)(CC)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.132g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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