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102432-05-3 | Benzaldehyde, 3-(1H-imidazol-1-ylmethyl)-
CAS No: 102432-05-3 Catalog No: AG0007FS MDL No:MFCD08271917
Product Description
Catalog Number:
AG0007FS
Chemical Name:
Benzaldehyde, 3-(1H-imidazol-1-ylmethyl)-
CAS Number:
102432-05-3
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08271917
IUPAC Name:
3-(imidazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c14-8-11-3-1-2-10(6-11)7-13-5-4-12-9-13/h1-6,8-9H,7H2
InChI Key:
JMKQKKQFLYPQDD-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Cn1cncc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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