Home Halogens 3-bromo-5-(pyrrolidin-1-yl)benzoic acid

3-bromo-5-(pyrrolidin-1-yl)benzoic acid

CAS No.:
1500723-92-1
Catalog Number:
AG01B512
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
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Product Description
Catalog Number:
AG01B512
Chemical Name:
3-bromo-5-(pyrrolidin-1-yl)benzoic acid
CAS Number:
1500723-92-1
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD24125780
IUPAC Name:
3-bromo-5-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12BrNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7H,1-4H2,(H,14,15)
InChI Key:
KAVDWOADHNSCFV-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)O)N1CCCC1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties