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634-91-3 | 3,4,5-Trichloroaniline
CAS No: 634-91-3 Catalog No: AG003BAS MDL No:MFCD00007769
Product Description
Catalog Number:
AG003BAS
Chemical Name:
3,4,5-Trichloroaniline
CAS Number:
634-91-3
Molecular Formula:
C6H4Cl3N
Molecular Weight:
196.4617
MDL Number:
MFCD00007769
IUPAC Name:
3,4,5-trichloroaniline
InChI:
InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChI Key:
XOGYQVITULCUGU-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c(c(c1)Cl)Cl
EC Number:
211-218-2
NSC Number:
115260
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.941g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.455g/mol
Monoisotopic Mass:
194.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Analysis of primary aromatic amines in the mainstream waterpipe smoke using liquid chromatography-electrospray ionization tandem mass spectrometry. | Journal of chromatography. A 20110819 |
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