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1314406-39-7 | Phenol, 4-amino-2,5-difluoro-, hydrochloride (1:1)
CAS No: 1314406-39-7 Catalog No: AG000W7D MDL No:MFCD19442792
Product Description
Catalog Number:
AG000W7D
Chemical Name:
Phenol, 4-amino-2,5-difluoro-, hydrochloride (1:1)
CAS Number:
1314406-39-7
Molecular Formula:
C6H6ClF2NO
Molecular Weight:
181.5677
MDL Number:
MFCD19442792
IUPAC Name:
4-amino-2,5-difluorophenol;hydrochloride
InChI:
InChI=1S/C6H5F2NO.ClH/c7-3-2-6(10)4(8)1-5(3)9;/h1-2,10H,9H2;1H
InChI Key:
WBUJJNIXMAVTHW-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(cc1F)O.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.567g/mol
Monoisotopic Mass:
181.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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