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HE-CHEMICAL 0345388

CAS No.:
1807071-71-1
Catalog Number:
AG01DZ01
Molecular Formula:
C7H2BrFN2O2
Molecular Weight:
245.0054
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Product Description
Catalog Number:
AG01DZ01
Chemical Name:
HE-CHEMICAL 0345388
CAS Number:
1807071-71-1
Molecular Formula:
C7H2BrFN2O2
Molecular Weight:
245.0054
MDL Number:
MFCD28740043
IUPAC Name:
2-bromo-6-fluoro-4-nitrobenzonitrile
InChI:
InChI=1S/C7H2BrFN2O2/c8-6-1-4(11(12)13)2-7(9)5(6)3-10/h1-2H
InChI Key:
VYXSPESVIPEVIZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.928g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.007g/mol
Monoisotopic Mass:
243.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties