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16331-45-6 | Benzoyl chloride, 4-ethyl-
CAS No: 16331-45-6 Catalog No: AG001U15 MDL No:MFCD00000697
Product Description
Catalog Number:
AG001U15
Chemical Name:
Benzoyl chloride, 4-ethyl-
CAS Number:
16331-45-6
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD00000697
IUPAC Name:
4-ethylbenzoyl chloride
InChI:
InChI=1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChI Key:
AVTLLLZVYYPGFX-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)Cl
EC Number:
240-404-6
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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