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126495-44-1 | Benzeneethanol, 2-bromo-α,α-dimethyl-
CAS No: 126495-44-1 Catalog No: AG000SUN MDL No:MFCD12153130
Product Description
Catalog Number:
AG000SUN
Chemical Name:
Benzeneethanol, 2-bromo-α,α-dimethyl-
CAS Number:
126495-44-1
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD12153130
IUPAC Name:
1-(2-bromophenyl)-2-methylpropan-2-ol
InChI:
InChI=1S/C10H13BrO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3
InChI Key:
UXQJCRYQCNOUMH-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC(O)(C)C
Properties
Complexity:
145
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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