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1414958-28-3 | 1H-Indole-2,3-dione, 7-chloro-4-fluoro-
CAS No: 1414958-28-3 Catalog No: AG001GH8 MDL No:MFCD22689272
Product Description
Catalog Number:
AG001GH8
Chemical Name:
1H-Indole-2,3-dione, 7-chloro-4-fluoro-
CAS Number:
1414958-28-3
Molecular Formula:
C8H3ClFNO2
Molecular Weight:
199.5663
MDL Number:
MFCD22689272
IUPAC Name:
7-chloro-4-fluoro-1H-indole-2,3-dione
InChI:
InChI=1S/C8H3ClFNO2/c9-3-1-2-4(10)5-6(3)11-8(13)7(5)12/h1-2H,(H,11,12,13)
InChI Key:
CYYDTPWYDQOSAD-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(F)ccc2Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.565g/mol
Monoisotopic Mass:
198.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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