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88487-24-5 | Benzoyl isocyanate, 2-chloro-5-fluoro-
CAS No: 88487-24-5 Catalog No: AG0049U6 MDL No:
Product Description
Catalog Number:
AG0049U6
Chemical Name:
Benzoyl isocyanate, 2-chloro-5-fluoro-
CAS Number:
88487-24-5
Molecular Formula:
C8H3ClFNO2
Molecular Weight:
199.5663
IUPAC Name:
2-chloro-5-fluorobenzoyl isocyanate
InChI:
InChI=1S/C8H3ClFNO2/c9-7-2-1-5(10)3-6(7)8(13)11-4-12/h1-3H
InChI Key:
XUWJYLXSOUADDS-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)N=C=O)c(cc1)Cl
Properties
Complexity:
253
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:
0
Isotope Atom Count:
0
Molecular Weight:
199.565g/mol
Monoisotopic Mass:
198.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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