Home Halogens 4-bromo-3-(propan-2-yloxy)benzoic acid

4-bromo-3-(propan-2-yloxy)benzoic acid

CAS No.:
1154060-98-6
Catalog Number:
AG01C4GB
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
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Product Description
Catalog Number:
AG01C4GB
Chemical Name:
4-bromo-3-(propan-2-yloxy)benzoic acid
CAS Number:
1154060-98-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD16658637
IUPAC Name:
4-bromo-3-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11BrO3/c1-6(2)14-9-5-7(10(12)13)3-4-8(9)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
JDNWHWXEBWACKR-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(ccc1Br)C(=O)O)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties