Home Other Building Blocks 3-(2-propyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride

3-(2-propyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride

CAS No.:
1427379-95-0
Catalog Number:
AG01A43B
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
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Product Description
Catalog Number:
AG01A43B
Chemical Name:
3-(2-propyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride
CAS Number:
1427379-95-0
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
MDL Number:
MFCD23144217
IUPAC Name:
3-(2-propylbenzimidazol-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C13H16N2O2.ClH/c1-2-5-12-14-10-6-3-4-7-11(10)15(12)9-8-13(16)17;/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17);1H
InChI Key:
DKDPXHNNRIJTNH-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(n1CCC(=O)O)cccc2.Cl
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.741g/mol
Monoisotopic Mass:
268.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties