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88399-38-6 | Phenol, 4-[(3,4-dichlorophenyl)amino]-
CAS No: 88399-38-6 Catalog No: AG004IAU MDL No:
Product Description
Catalog Number:
AG004IAU
Chemical Name:
Phenol, 4-[(3,4-dichlorophenyl)amino]-
CAS Number:
88399-38-6
Molecular Formula:
C12H9Cl2NO
Molecular Weight:
254.1120
IUPAC Name:
4-(3,4-dichloroanilino)phenol
InChI:
InChI=1S/C12H9Cl2NO/c13-11-6-3-9(7-12(11)14)15-8-1-4-10(16)5-2-8/h1-7,15-16H
InChI Key:
SAQMLOUAGKFGNB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Nc1ccc(c(c1)Cl)Cl
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:
2
Isotope Atom Count:
0
Molecular Weight:
254.11g/mol
Monoisotopic Mass:
253.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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