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1000342-48-2

1000342-48-2 | 1H-Indazole-6-carbonitrile, 4-bromo-3-iodo-

CAS No: 1000342-48-2 Catalog No: AG0000JL MDL No:

Product Description

Catalog Number:
AG0000JL
Chemical Name:
1H-Indazole-6-carbonitrile, 4-bromo-3-iodo-
CAS Number:
1000342-48-2
Molecular Formula:
C8H3BrIN3
Molecular Weight:
347.9380
IUPAC Name:
4-bromo-3-iodo-2H-indazole-6-carbonitrile
InChI:
InChI=1S/C8H3BrIN3/c9-5-1-4(3-11)2-6-7(5)8(10)13-12-6/h1-2H,(H,12,13)
InChI Key:
QJAVJYWHXWCCIQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)[nH]nc2I

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.856g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.941g/mol
Monoisotopic Mass:
346.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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