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14815-86-2 | Benzoyl chloride, 4-(trichloromethyl)-
CAS No: 14815-86-2 Catalog No: AG001FHM MDL No:
Product Description
Catalog Number:
AG001FHM
Chemical Name:
Benzoyl chloride, 4-(trichloromethyl)-
CAS Number:
14815-86-2
Molecular Formula:
C8H4Cl4O
Molecular Weight:
257.9288
IUPAC Name:
4-(trichloromethyl)benzoyl chloride
InChI:
InChI=1S/C8H4Cl4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChI Key:
LNIAVCRNJMPGGT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)C(Cl)(Cl)Cl
EC Number:
238-885-2
NSC Number:
152024
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.899g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.919g/mol
Monoisotopic Mass:
255.902g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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