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150638-32-7

150638-32-7 | 1-(Pyridin-4-ylmethyl)-1H-1,2,3-benzotriazole

CAS No: 150638-32-7 Catalog No: AG01EU88 MDL No:

Product Description

Catalog Number:
AG01EU88
Chemical Name:
1-(Pyridin-4-ylmethyl)-1H-1,2,3-benzotriazole
CAS Number:
150638-32-7
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
1-(pyridin-4-ylmethyl)benzotriazole
InChI:
InChI=1S/C12H10N4/c1-2-4-12-11(3-1)14-15-16(12)9-10-5-7-13-8-6-10/h1-8H,9H2
InChI Key:
CUWMQXUVJCCLAO-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)Cn1nnc2c1cccc2

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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