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85911-55-3 | Phenol, 2-chloro-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-6-methyl-
CAS No: 85911-55-3 Catalog No: AG004WM7 MDL No:
Product Description
Catalog Number:
AG004WM7
Chemical Name:
Phenol, 2-chloro-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-6-methyl-
CAS Number:
85911-55-3
Molecular Formula:
C18H21ClO
Molecular Weight:
288.8117
IUPAC Name:
4-[(4-tert-butylphenyl)methyl]-2-chloro-6-methylphenol
InChI:
InChI=1S/C18H21ClO/c1-12-9-14(11-16(19)17(12)20)10-13-5-7-15(8-6-13)18(2,3)4/h5-9,11,20H,10H2,1-4H3
InChI Key:
XNZDVMUFXSBCOU-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2ccc(cc2)C(C)(C)C)cc(c1O)Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.815g/mol
Monoisotopic Mass:
288.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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