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12167-40-7 | Phenol, 4-(1H-perimidin-7-ylamino)-
CAS No: 12167-40-7 Catalog No: AG0015JM MDL No:
Product Description
Catalog Number:
AG0015JM
Chemical Name:
Phenol, 4-(1H-perimidin-7-ylamino)-
CAS Number:
12167-40-7
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
4-(1H-perimidin-6-ylamino)phenol
InChI:
InChI=1S/C17H13N3O/c21-12-6-4-11(5-7-12)20-14-8-9-16-17-13(14)2-1-3-15(17)18-10-19-16/h1-10,20-21H,(H,18,19)
InChI Key:
NFTHGVDVYCXNDF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Nc1ccc2c3c1cccc3nc[nH]2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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