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24900-79-6 | Benzenamine, 3-chloro-4-(4-chlorophenoxy)-
CAS No: 24900-79-6 Catalog No: AG002PSS MDL No:MFCD00459649
Product Description
Catalog Number:
AG002PSS
Chemical Name:
Benzenamine, 3-chloro-4-(4-chlorophenoxy)-
CAS Number:
24900-79-6
Molecular Formula:
C12H9Cl2NO
Molecular Weight:
254.1120
MDL Number:
MFCD00459649
IUPAC Name:
3-chloro-4-(4-chlorophenoxy)aniline
InChI:
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
InChI Key:
OQOCWFFSZSSEDS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1ccc(cc1Cl)N
EC Number:
246-519-8
NSC Number:
151251
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.11g/mol
Monoisotopic Mass:
253.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| 3-Chloro-4-(4-chloro-phen-oxy)-N-[(Z)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline. | Acta crystallographica. Section E, Structure reports online 20120201 |
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