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893611-77-3 | Phenol,4-(6-amino-1H-benzimidazol-2-yl)-2-methoxy-
CAS No: 893611-77-3 Catalog No: AG003X5K MDL No:MFCD08056167
Product Description
Catalog Number:
AG003X5K
Chemical Name:
Phenol,4-(6-amino-1H-benzimidazol-2-yl)-2-methoxy-
CAS Number:
893611-77-3
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
MDL Number:
MFCD08056167
IUPAC Name:
4-(6-amino-1H-benzimidazol-2-yl)-2-methoxyphenol
InChI:
InChI=1S/C14H13N3O2/c1-19-13-6-8(2-5-12(13)18)14-16-10-4-3-9(15)7-11(10)17-14/h2-7,18H,15H2,1H3,(H,16,17)
InChI Key:
PSEFCJMITSXPGH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1nc2c([nH]1)ccc(c2)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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