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1141669-45-5 | Benzaldehyde, 2-chloro-4-(1H-imidazol-1-yl)-
CAS No: 1141669-45-5 Catalog No: AG000AOT MDL No:MFCD11656799
Product Description
Catalog Number:
AG000AOT
Chemical Name:
Benzaldehyde, 2-chloro-4-(1H-imidazol-1-yl)-
CAS Number:
1141669-45-5
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
MDL Number:
MFCD11656799
IUPAC Name:
2-chloro-4-imidazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H7ClN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
InChI Key:
BUUCGRMFXGLDNV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)n1cncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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