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Home > Imidazoles > 874000-31-4
874000-31-4 | Cyclohept[d]imidazol-6(1H)-imine
CAS No: 874000-31-4 Catalog No: AG004GPA MDL No:
Product Description
Catalog Number:
AG004GPA
Chemical Name:
Cyclohept[d]imidazol-6(1H)-imine
CAS Number:
874000-31-4
Molecular Formula:
C8H7N3
Molecular Weight:
145.1613
IUPAC Name:
1H-cyclohepta[d]imidazol-6-imine
InChI:
InChI=1S/C8H7N3/c9-6-1-3-7-8(4-2-6)11-5-10-7/h1-5,9H,(H,10,11)
InChI Key:
SPCTYVKSCWFEKN-UHFFFAOYSA-N
SMILES:
N=c1ccc2c(cc1)nc[nH]2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.165g/mol
Monoisotopic Mass:
145.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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