Home Halogens 3-bromo-2,4,6-trimethylbenzoic acid

3-bromo-2,4,6-trimethylbenzoic acid

CAS No.:
5333-13-1
Catalog Number:
AG01B6PW
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
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Product Description
Catalog Number:
AG01B6PW
Chemical Name:
3-bromo-2,4,6-trimethylbenzoic acid
CAS Number:
5333-13-1
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD24107207
IUPAC Name:
3-bromo-2,4,6-trimethylbenzoic acid
InChI:
InChI=1S/C10H11BrO2/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3,(H,12,13)
InChI Key:
VUVHCRZIUORPEG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(c(c1C)Br)C
NSC Number:
601
Properties
Complexity:
205  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties