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29466-14-6 | 1H-1,2,4-Triazole, (methylphenyl)- (9CI)
CAS No: 29466-14-6 Catalog No: AG002YHD MDL No:
Product Description
Catalog Number:
AG002YHD
Chemical Name:
1H-1,2,4-Triazole, (methylphenyl)- (9CI)
CAS Number:
29466-14-6
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
1-(2-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C9H9N3/c1-8-4-2-3-5-9(8)12-7-10-6-11-12/h2-7H,1H3
InChI Key:
LAGFUXOTKFAPEC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1cncn1
EC Number:
249-656-1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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