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1260794-38-4 | Benzenepropanol, 4-chloro-2-methyl-
CAS No: 1260794-38-4 Catalog No: AG000RAZ MDL No:
Product Description
Catalog Number:
AG000RAZ
Chemical Name:
Benzenepropanol, 4-chloro-2-methyl-
CAS Number:
1260794-38-4
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
3-(4-chloro-2-methylphenyl)propan-1-ol
InChI:
InChI=1S/C10H13ClO/c1-8-7-10(11)5-4-9(8)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChI Key:
HEEUTFLEJHLHGZ-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1C)Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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