Home Other Building Blocks 2-methoxy-1H-1,3-benzodiazol-5-amine

2-methoxy-1H-1,3-benzodiazol-5-amine

CAS No.:
1508403-00-6
Catalog Number:
AG01BDY8
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
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Product Description
Catalog Number:
AG01BDY8
Chemical Name:
2-methoxy-1H-1,3-benzodiazol-5-amine
CAS Number:
1508403-00-6
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD23826957
IUPAC Name:
2-methoxy-3H-benzimidazol-5-amine
InChI:
InChI=1S/C8H9N3O/c1-12-8-10-6-3-2-5(9)4-7(6)11-8/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
CKEOCMAONBGNGL-UHFFFAOYSA-N
SMILES:
COc1nc2c([nH]1)ccc(c2)N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties