Home Halogens 2-(2-bromo-4-methylphenyl)acetic acid

2-(2-bromo-4-methylphenyl)acetic acid

CAS No.:
31881-86-4
Catalog Number:
AG01C1BD
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG01C1BD
Chemical Name:
2-(2-bromo-4-methylphenyl)acetic acid
CAS Number:
31881-86-4
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD18392220
IUPAC Name:
2-(2-bromo-4-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO2/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
VENUNMMLXJLOCO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1Br)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties