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1000577-79-6 | 2-Amino-3-bromo-6-fluoro-5-iodobenzonitrile
CAS No: 1000577-79-6 Catalog No: AG01FAT4 MDL No:MFCD09800812
Product Description
Catalog Number:
AG01FAT4
Chemical Name:
2-Amino-3-bromo-6-fluoro-5-iodobenzonitrile
CAS Number:
1000577-79-6
Molecular Formula:
C7H3BrFIN2
Molecular Weight:
340.9190
MDL Number:
MFCD09800812
IUPAC Name:
2-amino-3-bromo-6-fluoro-5-iodobenzonitrile
InChI:
InChI=1S/C7H3BrFIN2/c8-4-1-5(10)6(9)3(2-11)7(4)12/h1H,12H2
InChI Key:
VGPLTRBJKLZRDO-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)c(Br)cc(c1F)I
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.851g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.922g/mol
Monoisotopic Mass:
339.851g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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