Home Halogens 3-(4-bromophenyl)butanoic acid

3-(4-bromophenyl)butanoic acid

CAS No.:
53086-46-7
Catalog Number:
AG01A0X8
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
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Product Description
Catalog Number:
AG01A0X8
Chemical Name:
3-(4-bromophenyl)butanoic acid
CAS Number:
53086-46-7
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD08282290
IUPAC Name:
3-(4-bromophenyl)butanoic acid
InChI:
InChI=1S/C10H11BrO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
FBASDSAHBADZFQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)CC(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties