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2077-19-2 | Benzenemethanol, 4-bromo-α,α-dimethyl-
CAS No: 2077-19-2 Catalog No: AG002J8B MDL No:MFCD11870096
Product Description
Catalog Number:
AG002J8B
Chemical Name:
Benzenemethanol, 4-bromo-α,α-dimethyl-
CAS Number:
2077-19-2
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD11870096
IUPAC Name:
2-(4-bromophenyl)propan-2-ol
InChI:
InChI=1S/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
InChI Key:
AOGYBHJTXLXRSM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)(O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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