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18980-02-4 | Phenol, 4-butyl-2-chloro-
CAS No: 18980-02-4 Catalog No: AG002DYW MDL No:MFCD24714269
Product Description
Catalog Number:
AG002DYW
Chemical Name:
Phenol, 4-butyl-2-chloro-
CAS Number:
18980-02-4
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
MDL Number:
MFCD24714269
IUPAC Name:
4-butyl-2-chlorophenol
InChI:
InChI=1S/C10H13ClO/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7,12H,2-4H2,1H3
InChI Key:
XKPPCQGTLVOZEG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)Cl)O
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:
3.9
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