Home Other Building Blocks 2,4-difluoro-1-(isocyanatomethyl)benzene

2,4-difluoro-1-(isocyanatomethyl)benzene

CAS No.:
1291101-40-0
Catalog Number:
AG01C5BS
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
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Product Description
Catalog Number:
AG01C5BS
Chemical Name:
2,4-difluoro-1-(isocyanatomethyl)benzene
CAS Number:
1291101-40-0
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD06740492
IUPAC Name:
2,4-difluoro-1-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H5F2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
InChI Key:
XLVJXDIJPMYSOZ-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1F)F
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties