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23159-87-7 | Phenol, 2-bromo-6-(1,1-dimethylethyl)-
CAS No: 23159-87-7 Catalog No: AG002MEC MDL No:MFCD16996888
Product Description
Catalog Number:
AG002MEC
Chemical Name:
Phenol, 2-bromo-6-(1,1-dimethylethyl)-
CAS Number:
23159-87-7
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD16996888
IUPAC Name:
2-bromo-6-tert-butylphenol
InChI:
InChI=1S/C10H13BrO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3
InChI Key:
AXYXIQJROSLHJZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1O)C(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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