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1179851-55-8

1179851-55-8 | 1-(2-Bromophenyl)-2-butanol

CAS No: 1179851-55-8 Catalog No: AG01EQWI MDL No:

Product Description

Catalog Number:
AG01EQWI
Chemical Name:
1-(2-Bromophenyl)-2-butanol
CAS Number:
1179851-55-8
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
1-(2-bromophenyl)butan-2-ol
InChI:
InChI=1S/C10H13BrO/c1-2-9(12)7-8-5-3-4-6-10(8)11/h3-6,9,12H,2,7H2,1H3
InChI Key:
UFPXZMODXKUNDI-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1Br)O

Properties

Complexity:
127  
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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