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1049032-01-0 | {4-[5-(2-Furyl)-1H-1,2,4-triazol-3-yl]phenyl}amine
CAS No: 1049032-01-0 Catalog No: AG01FMLF MDL No:MFCD11987044
Product Description
Catalog Number:
AG01FMLF
Chemical Name:
{4-[5-(2-Furyl)-1H-1,2,4-triazol-3-yl]phenyl}amine
CAS Number:
1049032-01-0
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
MDL Number:
MFCD11987044
IUPAC Name:
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]aniline
InChI:
InChI=1S/C12H10N4O/c13-9-5-3-8(4-6-9)11-14-12(16-15-11)10-2-1-7-17-10/h1-7H,13H2,(H,14,15,16)
InChI Key:
LTHPIFUITZWNGM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1n[nH]c(n1)c1ccco1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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