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202582-08-9

202582-08-9 | Benzoic acid, 4-(1H-naphtho[2,3-d]triazol-1-ylmethyl)-

CAS No: 202582-08-9 Catalog No: AG0028AK MDL No:

Product Description

Catalog Number:
AG0028AK
Chemical Name:
Benzoic acid, 4-(1H-naphtho[2,3-d]triazol-1-ylmethyl)-
CAS Number:
202582-08-9
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
IUPAC Name:
4-(benzo[f]benzotriazol-3-ylmethyl)benzoic acid
InChI:
InChI=1S/C18H13N3O2/c22-18(23)13-7-5-12(6-8-13)11-21-17-10-15-4-2-1-3-14(15)9-16(17)19-20-21/h1-10H,11H2,(H,22,23)
InChI Key:
CPVINIGXGKJNOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1nnc2c1cc1ccccc1c2

Properties

Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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