Home Halogens Benzenepropanoic acid, 4-bromo-3-methyl-

Benzenepropanoic acid, 4-bromo-3-methyl-

CAS No.:
1147548-74-0
Catalog Number:
AG000F64
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
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Product Description
Catalog Number:
AG000F64
Chemical Name:
Benzenepropanoic acid, 4-bromo-3-methyl-
CAS Number:
1147548-74-0
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD14539086
IUPAC Name:
3-(4-bromo-3-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11BrO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key:
ZUKLUVVKWMUNQR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)C)Br
Properties
Complexity:
182  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties