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78205-36-4 | 6,7-DIHYDRO-3-PHENYL-5H-PYRROLO(2,1-C)-1,2,4-TRIAZOLE
CAS No: 78205-36-4 Catalog No: AG005D0I MDL No:
Product Description
Catalog Number:
AG005D0I
Chemical Name:
6,7-DIHYDRO-3-PHENYL-5H-PYRROLO(2,1-C)-1,2,4-TRIAZOLE
CAS Number:
78205-36-4
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
IUPAC Name:
3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
InChI:
InChI=1S/C11H11N3/c1-2-5-9(6-3-1)11-13-12-10-7-4-8-14(10)11/h1-3,5-6H,4,7-8H2
InChI Key:
KXOTZBRROFDUAW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2n1CCC2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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