Home Other Building Blocks 2-(difluoromethyl)-6-fluoro-3,4-dihydroquinazolin-4-one

2-(difluoromethyl)-6-fluoro-3,4-dihydroquinazolin-4-one

CAS No.:
1803606-44-1
Catalog Number:
AG01BB18
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
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Product Description
Catalog Number:
AG01BB18
Chemical Name:
2-(difluoromethyl)-6-fluoro-3,4-dihydroquinazolin-4-one
CAS Number:
1803606-44-1
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
MDL Number:
MFCD28714551
IUPAC Name:
2-(difluoromethyl)-6-fluoro-3H-quinazolin-4-one
InChI:
InChI=1S/C9H5F3N2O/c10-4-1-2-6-5(3-4)9(15)14-8(13-6)7(11)12/h1-3,7H,(H,13,14,15)
InChI Key:
ZZYDQVYUIFTGQM-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)[nH]c(n2)C(F)F
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties