Home Nitriles 5,6-Difluoro-1H-indazole-3-carbonitrile

5,6-Difluoro-1H-indazole-3-carbonitrile

CAS No.:
885278-36-4
Catalog Number:
AG0045FD
Molecular Formula:
C8H3F2N3
Molecular Weight:
179.1263
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Product Description
Catalog Number:
AG0045FD
Chemical Name:
5,6-Difluoro-1H-indazole-3-carbonitrile
CAS Number:
885278-36-4
Molecular Formula:
C8H3F2N3
Molecular Weight:
179.1263
MDL Number:
MFCD07371571
IUPAC Name:
5,6-difluoro-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H3F2N3/c9-5-1-4-7(2-6(5)10)12-13-8(4)3-11/h1-2H,(H,12,13)
InChI Key:
ONSCTUARADANFA-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1cc(F)c(c2)F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.13g/mol
Monoisotopic Mass:
179.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties