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51163-28-1 | 4-Chloro-2-fluorophenyl isocyanate
CAS No: 51163-28-1 Catalog No: AG003L39 MDL No:MFCD12546906
Product Description
Catalog Number:
AG003L39
Chemical Name:
4-Chloro-2-fluorophenyl isocyanate
CAS Number:
51163-28-1
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD12546906
IUPAC Name:
4-chloro-2-fluoro-1-isocyanatobenzene
InChI:
InChI=1S/C7H3ClFNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
HHFPUBQPIUYQJW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)F)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.555g/mol
Monoisotopic Mass:
170.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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