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132667-21-1 | 2(3H)-Benzoxazolone, 6-amino-5-fluoro-
CAS No: 132667-21-1 Catalog No: AG0010Z0 MDL No:MFCD20702455
Product Description
Catalog Number:
AG0010Z0
Chemical Name:
2(3H)-Benzoxazolone, 6-amino-5-fluoro-
CAS Number:
132667-21-1
Molecular Formula:
C7H5FN2O2
Molecular Weight:
168.1252
MDL Number:
MFCD20702455
IUPAC Name:
6-amino-5-fluoro-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H5FN2O2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,9H2,(H,10,11)
InChI Key:
YJMOFMQECPDZKB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(c(c2)F)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.127g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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