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137447-15-5 | Benzenamine, 2-(1H-perimidin-2-yl)-
CAS No: 137447-15-5 Catalog No: AG00139Y MDL No:
Product Description
Catalog Number:
AG00139Y
Chemical Name:
Benzenamine, 2-(1H-perimidin-2-yl)-
CAS Number:
137447-15-5
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
2-(1H-perimidin-2-yl)aniline
InChI:
InChI=1S/C17H13N3/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10H,18H2,(H,19,20)
InChI Key:
KHJVWCPVADEKOF-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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