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88951-31-9 | Phenol, 2-butyl-6-chloro-
CAS No: 88951-31-9 Catalog No: AG004714 MDL No:
Product Description
Catalog Number:
AG004714
Chemical Name:
Phenol, 2-butyl-6-chloro-
CAS Number:
88951-31-9
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
2-butyl-6-chlorophenol
InChI:
InChI=1S/C10H13ClO/c1-2-3-5-8-6-4-7-9(11)10(8)12/h4,6-7,12H,2-3,5H2,1H3
InChI Key:
WSVWRETTYOULBB-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1O)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:
4.3
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