Home Halogens 3-chloro-5-(1�-pyrrol-1-yl)benzoic acid

3-chloro-5-(1�-pyrrol-1-yl)benzoic acid

CAS No.:
1515064-49-9
Catalog Number:
AG01DSVK
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
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Product Description
Catalog Number:
AG01DSVK
Chemical Name:
3-chloro-5-(1�-pyrrol-1-yl)benzoic acid
CAS Number:
1515064-49-9
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD24125723
IUPAC Name:
3-chloro-5-pyrrol-1-ylbenzoic acid
InChI:
InChI=1S/C11H8ClNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h1-7H,(H,14,15)
InChI Key:
STMPSFAEDOKLLJ-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)n1cccc1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties