Home Other Building Blocks 1-(difluoromethyl)-3-isocyanatobenzene

1-(difluoromethyl)-3-isocyanatobenzene

CAS No.:
27181-22-2
Catalog Number:
AG01BTJQ
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BTJQ
Chemical Name:
1-(difluoromethyl)-3-isocyanatobenzene
CAS Number:
27181-22-2
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD24451556
IUPAC Name:
1-(difluoromethyl)-3-isocyanatobenzene
InChI:
InChI=1S/C8H5F2NO/c9-8(10)6-2-1-3-7(4-6)11-5-12/h1-4,8H
InChI Key:
YPDMVXLKBSSSMV-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)C(F)F
Properties
Complexity:
190  
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:
3.3  
Properties