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18982-59-7 | 4-Chloro-3,5-dimethylbenzyl alcohol
CAS No: 18982-59-7 Catalog No: AG01FDZH MDL No:
Product Description
Catalog Number:
AG01FDZH
Chemical Name:
4-Chloro-3,5-dimethylbenzyl alcohol
CAS Number:
18982-59-7
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
(4-chloro-3,5-dimethylphenyl)methanol
InChI:
InChI=1S/C9H11ClO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4,11H,5H2,1-2H3
InChI Key:
NANAVHMIEOOELY-UHFFFAOYSA-N
SMILES:
OCc1cc(C)c(c(c1)C)Cl
Properties
Complexity:
115
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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