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887580-74-7 | Benzenamine,3-(3,4-dichlorophenoxy)-
CAS No: 887580-74-7 Catalog No: AG004CFX MDL No:
Product Description
Catalog Number:
AG004CFX
Chemical Name:
Benzenamine,3-(3,4-dichlorophenoxy)-
CAS Number:
887580-74-7
Molecular Formula:
C12H9Cl2NO
Molecular Weight:
254.1120
IUPAC Name:
3-(3,4-dichlorophenoxy)aniline
InChI:
InChI=1S/C12H9Cl2NO/c13-11-5-4-10(7-12(11)14)16-9-3-1-2-8(15)6-9/h1-7H,15H2
InChI Key:
BKFYBOQBXBLWBQ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
227
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
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