Home Halogens Benzenebutanoic acid, α-bromo-

Benzenebutanoic acid, α-bromo-

CAS No.:
16503-46-1
Catalog Number:
AG001V81
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
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Product Description
Catalog Number:
AG001V81
Chemical Name:
Benzenebutanoic acid, α-bromo-
CAS Number:
16503-46-1
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD11617073
IUPAC Name:
2-bromo-4-phenylbutanoic acid
InChI:
InChI=1S/C10H11BrO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChI Key:
DJQJKQPODCNTSE-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)CCc1ccccc1
EC Number:
240-568-9
Properties
Complexity:
164  
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties