Home Other Building Blocks 1-(difluoromethyl)-4-isocyanatobenzene

1-(difluoromethyl)-4-isocyanatobenzene

CAS No.:
76729-40-3
Catalog Number:
AG01BTN0
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
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Product Description
Catalog Number:
AG01BTN0
Chemical Name:
1-(difluoromethyl)-4-isocyanatobenzene
CAS Number:
76729-40-3
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD24450535
IUPAC Name:
1-(difluoromethyl)-4-isocyanatobenzene
InChI:
InChI=1S/C8H5F2NO/c9-8(10)6-1-3-7(4-2-6)11-5-12/h1-4,8H
InChI Key:
DKWICSHYDXWLBK-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N=C=O)F
Properties
Complexity:
182  
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