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59667-21-9 | Benzeneethanol, 4-chloro-b-methyl-
CAS No: 59667-21-9 Catalog No: AG01FE9P MDL No:
Product Description
Catalog Number:
AG01FE9P
Chemical Name:
Benzeneethanol, 4-chloro-b-methyl-
CAS Number:
59667-21-9
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
2-(4-chlorophenyl)propan-1-ol
InChI:
InChI=1S/C9H11ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChI Key:
URHWBOQMDQIEDG-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Cl)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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