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40294-35-7 | 1H-Benzimidazol-2-amine,5,6-dimethoxy-(9CI)
CAS No: 40294-35-7 Catalog No: AG00CWJD MDL No:MFCD16845542
Product Description
Catalog Number:
AG00CWJD
Chemical Name:
1H-Benzimidazol-2-amine,5,6-dimethoxy-(9CI)
CAS Number:
40294-35-7
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD16845542
IUPAC Name:
5,6-dimethoxy-1H-benzimidazol-2-amine
InChI:
InChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChI Key:
POWPTEBMSHLSRA-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(nc2cc1OC)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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