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827299-53-6 | Phenol, 3,5-dichloro-4-[1,2-diamino-2-(2-fluoro-4-hydroxyphenyl)ethyl]-
CAS No: 827299-53-6 Catalog No: AG0050T1 MDL No:
Product Description
Catalog Number:
AG0050T1
Chemical Name:
Phenol, 3,5-dichloro-4-[1,2-diamino-2-(2-fluoro-4-hydroxyphenyl)ethyl]-
CAS Number:
827299-53-6
Molecular Formula:
C14H13Cl2FN2O2
Molecular Weight:
331.1696
IUPAC Name:
3,5-dichloro-4-[1,2-diamino-2-(2-fluoro-4-hydroxyphenyl)ethyl]phenol
InChI:
InChI=1S/C14H13Cl2FN2O2/c15-9-3-7(21)4-10(16)12(9)14(19)13(18)8-2-1-6(20)5-11(8)17/h1-5,13-14,20-21H,18-19H2
InChI Key:
BJJNMAOENNYKHG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)F)C(C(c1c(Cl)cc(cc1Cl)O)N)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
331.168g/mol
Monoisotopic Mass:
330.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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