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Home > Aldehydes > 139975-94-3
139975-94-3 | 2-(1H-Imidazol-2-yl)benzaldehyde
CAS No: 139975-94-3 Catalog No: AG001BVV MDL No:MFCD08668852
Product Description
Catalog Number:
AG001BVV
Chemical Name:
2-(1H-Imidazol-2-yl)benzaldehyde
CAS Number:
139975-94-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD08668852
IUPAC Name:
2-(1H-imidazol-2-yl)benzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-8-3-1-2-4-9(8)10-11-5-6-12-10/h1-7H,(H,11,12)
InChI Key:
PPWUDUBSVGQQAL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1ncc[nH]1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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