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Home > Bromides > 1393477-32-1
1393477-32-1 | Benzenemethanol, 2-bromo-α,α,5-trimethyl-
CAS No: 1393477-32-1 Catalog No: AG001ASQ MDL No:MFCD27992276
Product Description
Catalog Number:
AG001ASQ
Chemical Name:
Benzenemethanol, 2-bromo-α,α,5-trimethyl-
CAS Number:
1393477-32-1
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD27992276
IUPAC Name:
2-(2-bromo-5-methylphenyl)propan-2-ol
InChI:
InChI=1S/C10H13BrO/c1-7-4-5-9(11)8(6-7)10(2,3)12/h4-6,12H,1-3H3
InChI Key:
TULANXOPLANKNW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(O)(C)C)Br
Properties
Complexity:
156
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:
2.7
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