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2635-68-9 | Benzonitrile, 2-(trichloromethyl)-
CAS No: 2635-68-9 Catalog No: AG002SUR MDL No:MFCD00218261
Product Description
Catalog Number:
AG002SUR
Chemical Name:
Benzonitrile, 2-(trichloromethyl)-
CAS Number:
2635-68-9
Molecular Formula:
C8H4Cl3N
Molecular Weight:
220.4831
MDL Number:
MFCD00218261
IUPAC Name:
2-(trichloromethyl)benzonitrile
InChI:
InChI=1S/C8H4Cl3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChI Key:
GBKJYWAWSNXSIQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(Cl)(Cl)Cl
NSC Number:
202048
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.477g/mol
Monoisotopic Mass:
218.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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