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1227958-14-6 | Benzenemethanol, 2-amino-6-bromo-3-fluoro-
CAS No: 1227958-14-6 Catalog No: AG000JHI MDL No:MFCD22199276
Product Description
Catalog Number:
AG000JHI
Chemical Name:
Benzenemethanol, 2-amino-6-bromo-3-fluoro-
CAS Number:
1227958-14-6
Molecular Formula:
C7H7BrFNO
Molecular Weight:
220.0390
MDL Number:
MFCD22199276
IUPAC Name:
(2-amino-6-bromo-3-fluorophenyl)methanol
InChI:
InChI=1S/C7H7BrFNO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3,10H2
InChI Key:
IYFKUDKXPVLTHZ-UHFFFAOYSA-N
SMILES:
OCc1c(Br)ccc(c1N)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.041g/mol
Monoisotopic Mass:
218.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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