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125234-35-7 | Benzoyl chloride, 4-(1H-imidazol-1-yl)-
CAS No: 125234-35-7 Catalog No: AG000ND7 MDL No:
Product Description
Catalog Number:
AG000ND7
Chemical Name:
Benzoyl chloride, 4-(1H-imidazol-1-yl)-
CAS Number:
125234-35-7
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
IUPAC Name:
4-imidazol-1-ylbenzoyl chloride
InChI:
InChI=1S/C10H7ClN2O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H
InChI Key:
XOEOUOZYJGZJLW-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)n1cncc1
Properties
Complexity:
214
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:
2.2
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