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80745-32-0 | benzaldehyde, 4-(trichloromethyl)-
CAS No: 80745-32-0 Catalog No: AG0058BM MDL No:
Product Description
Catalog Number:
AG0058BM
Chemical Name:
benzaldehyde, 4-(trichloromethyl)-
CAS Number:
80745-32-0
Molecular Formula:
C8H5Cl3O
Molecular Weight:
223.4837
IUPAC Name:
4-(trichloromethyl)benzaldehyde
InChI:
InChI=1S/C8H5Cl3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
LNCGNAQEXZRINE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(Cl)(Cl)Cl
NSC Number:
131442
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.477g/mol
Monoisotopic Mass:
221.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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