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6627-34-5 | 2,5-Dichloro-4-nitroaniline
CAS No: 6627-34-5 Catalog No: AG003FX4 MDL No:MFCD00025157
Product Description
Catalog Number:
AG003FX4
Chemical Name:
2,5-Dichloro-4-nitroaniline
CAS Number:
6627-34-5
Molecular Formula:
C6H4Cl2N2O2
Molecular Weight:
207.0142
MDL Number:
MFCD00025157
IUPAC Name:
2,5-dichloro-4-nitroaniline
InChI:
InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2
InChI Key:
JBXZCPXEYAEMJS-UHFFFAOYSA-N
SMILES:
Clc1cc([N+](=O)[O-])c(cc1N)Cl
EC Number:
229-591-5
NSC Number:
60645
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.01g/mol
Monoisotopic Mass:
205.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| New PET imaging agent for the serotonin transporter: [(18)F]ACF (2-[(2-amino-4-chloro-5-fluorophenyl)thio]-N,N-dimethyl-benzenmethanamine). | Journal of medicinal chemistry 20021010 |
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