Home Halogens 4-chloro-1-fluoro-2-isocyanatobenzene

4-chloro-1-fluoro-2-isocyanatobenzene

CAS No.:
39718-31-5
Catalog Number:
AG019N0M
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
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Product Description
Catalog Number:
AG019N0M
Chemical Name:
4-chloro-1-fluoro-2-isocyanatobenzene
CAS Number:
39718-31-5
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD08444557
IUPAC Name:
4-chloro-1-fluoro-2-isocyanatobenzene
InChI:
InChI=1S/C7H3ClFNO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI Key:
IAVUGNQDGAZJAZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1N=C=O)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  
Properties