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10176-13-3 | Phenol, 4-(2-chloroethyl)-2,6-bis(1,1-dimethylethyl)-
CAS No: 10176-13-3 Catalog No: AG0005FK MDL No:
Product Description
Catalog Number:
AG0005FK
Chemical Name:
Phenol, 4-(2-chloroethyl)-2,6-bis(1,1-dimethylethyl)-
CAS Number:
10176-13-3
Molecular Formula:
C16H25ClO
Molecular Weight:
268.8221
IUPAC Name:
2,6-ditert-butyl-4-(2-chloroethyl)phenol
InChI:
InChI=1S/C16H25ClO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7-8H2,1-6H3
InChI Key:
KLIJOUBOOHWMMP-UHFFFAOYSA-N
SMILES:
ClCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.159g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.825g/mol
Monoisotopic Mass:
268.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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