Home Other Building Blocks 3,5-difluoro-4-(1H-imidazol-1-yl)aniline

3,5-difluoro-4-(1H-imidazol-1-yl)aniline

CAS No.:
797783-61-0
Catalog Number:
AG01AAH6
Molecular Formula:
C9H7F2N3
Molecular Weight:
195.1688
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Product Description
Catalog Number:
AG01AAH6
Chemical Name:
3,5-difluoro-4-(1H-imidazol-1-yl)aniline
CAS Number:
797783-61-0
Molecular Formula:
C9H7F2N3
Molecular Weight:
195.1688
MDL Number:
MFCD11870469
IUPAC Name:
3,5-difluoro-4-imidazol-1-ylaniline
InChI:
InChI=1S/C9H7F2N3/c10-7-3-6(12)4-8(11)9(7)14-2-1-13-5-14/h1-5H,12H2
InChI Key:
CXNCAQRETIWXMZ-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(c(c1)F)n1cncc1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.173g/mol
Monoisotopic Mass:
195.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties