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2,3,6-trichloroaniline

2,3,6-trichloroaniline

CAS: 88963-39-7

Formula: C6H4Cl3N

SMILES: NC1=C(Cl)C=CC(Cl)=C1Cl

IUPAC: 2,3,6-trichloroaniline

InChI: InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2

Composition: C (36.68%), H (2.05%), Cl (54.13%), N (7.13%)

Molar Mass: 196.46

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.9409322
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZJMMPUVJZQBMEM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.17
Topological Polar Surface Area 26.02
Polarizability 17.22
Ring Count 1
Rotatable Bond Count 0

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