Home Carboxys 3-Benzyl-1,3-benzodiazole-5-carboxylic acid

3-Benzyl-1,3-benzodiazole-5-carboxylic acid

CAS No.:
1191904-81-0
Catalog Number:
AG00948T
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$219
- +
5g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00948T
Chemical Name:
3-Benzyl-1,3-benzodiazole-5-carboxylic acid
CAS Number:
1191904-81-0
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD15202087
IUPAC Name:
3-benzylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C15H12N2O2/c18-15(19)12-6-7-13-14(8-12)17(10-16-13)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
InChI Key:
JGRUWQYKENZPPI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)n(cn2)Cc1ccccc1
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties