200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 127404-22-2
127404-22-2 | Benzaldehyde, 3-(1H-imidazol-1-yl)-
CAS No: 127404-22-2 Catalog No: AG000X13 MDL No:MFCD09836178
Product Description
Catalog Number:
AG000X13
Chemical Name:
Benzaldehyde, 3-(1H-imidazol-1-yl)-
CAS Number:
127404-22-2
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD09836178
IUPAC Name:
3-imidazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
InChI Key:
CGTQCZGDVDTRDI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)n1cncc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.