Home Other Building Blocks 4-(1H-IMIDAZOL-1-YLMETHYL)-2-METHYLBENZONITRILE

4-(1H-IMIDAZOL-1-YLMETHYL)-2-METHYLBENZONITRILE

CAS No.:
1345412-19-2
Catalog Number:
AG01DVW1
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DVW1
Chemical Name:
4-(1H-IMIDAZOL-1-YLMETHYL)-2-METHYLBENZONITRILE
CAS Number:
1345412-19-2
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD28129292
IUPAC Name:
4-(imidazol-1-ylmethyl)-2-methylbenzonitrile
InChI:
InChI=1S/C12H11N3/c1-10-6-11(2-3-12(10)7-13)8-15-5-4-14-9-15/h2-6,9H,8H2,1H3
InChI Key:
RSUOWSGFGSNUNC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C)Cn1cncc1
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties