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1157556-44-9 | 2-(3-Chlorophenyl)-2-pentanol
CAS No: 1157556-44-9 Catalog No: AG01FF4M MDL No:
Product Description
Catalog Number:
AG01FF4M
Chemical Name:
2-(3-Chlorophenyl)-2-pentanol
CAS Number:
1157556-44-9
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(3-chlorophenyl)pentan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3
InChI Key:
PFTAWUCJQQXEKW-UHFFFAOYSA-N
SMILES:
CCCC(c1cccc(c1)Cl)(O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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