Home Other Building Blocks 1H-1,2,4-Triazole, 1-[(4-methoxyphenyl)methyl]-

1H-1,2,4-Triazole, 1-[(4-methoxyphenyl)methyl]-

CAS No.:
115201-42-8
Catalog Number:
AG000GFV
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
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Product Description
Catalog Number:
AG000GFV
Chemical Name:
1H-1,2,4-Triazole, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
115201-42-8
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD07367972
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-1,2,4-triazole
InChI:
InChI=1S/C10H11N3O/c1-14-10-4-2-9(3-5-10)6-13-8-11-7-12-13/h2-5,7-8H,6H2,1H3
InChI Key:
SRUVAHBDEGBIEQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncnc1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties