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1250241-63-4 | Benzeneethanol, β-amino-4-chloro-3-fluoro-
CAS No: 1250241-63-4 Catalog No: AG000MZB MDL No:MFCD16040267
Product Description
Catalog Number:
AG000MZB
Chemical Name:
Benzeneethanol, β-amino-4-chloro-3-fluoro-
CAS Number:
1250241-63-4
Molecular Formula:
C8H9ClFNO
Molecular Weight:
189.6146
MDL Number:
MFCD16040267
IUPAC Name:
2-amino-2-(4-chloro-3-fluorophenyl)ethanol
InChI:
InChI=1S/C8H9ClFNO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChI Key:
BLNCONOUQXEUCP-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(c(c1)F)Cl)N
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.614g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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