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943742-67-4 | 1-(4-Bromophenyl)-2-butanol
CAS No: 943742-67-4 Catalog No: AG01EZHK MDL No:
Product Description
Catalog Number:
AG01EZHK
Chemical Name:
1-(4-Bromophenyl)-2-butanol
CAS Number:
943742-67-4
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
1-(4-bromophenyl)butan-2-ol
InChI:
InChI=1S/C10H13BrO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10,12H,2,7H2,1H3
InChI Key:
BFQNYWQZYFKMRC-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(cc1)Br)O
Properties
Complexity:
119
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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