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2060032-40-6 | 4-(4-amino-1H-imidazol-2-yl)benzaldehyde
CAS No: 2060032-40-6 Catalog No: AG01BW12 MDL No:MFCD30476667
Product Description
Catalog Number:
AG01BW12
Chemical Name:
4-(4-amino-1H-imidazol-2-yl)benzaldehyde
CAS Number:
2060032-40-6
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD30476667
IUPAC Name:
4-(5-amino-1H-imidazol-2-yl)benzaldehyde
InChI:
InChI=1S/C10H9N3O/c11-9-5-12-10(13-9)8-3-1-7(6-14)2-4-8/h1-6H,11H2,(H,12,13)
InChI Key:
GTLQYIJONIZFND-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1[nH]cc(n1)N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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