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Home > Bromides > 1260783-54-7
1260783-54-7 | 1H-Indazole-3-carbonyl chloride, 5-bromo-
CAS No: 1260783-54-7 Catalog No: AG000R8Z MDL No:
Product Description
Catalog Number:
AG000R8Z
Chemical Name:
1H-Indazole-3-carbonyl chloride, 5-bromo-
CAS Number:
1260783-54-7
Molecular Formula:
C8H4BrClN2O
Molecular Weight:
259.4872
IUPAC Name:
5-bromo-1H-indazole-3-carbonyl chloride
InChI:
InChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H,11,12)
InChI Key:
PVDAKLPTZHISFM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1n[nH]c2c1cc(Br)cc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.92g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.487g/mol
Monoisotopic Mass:
257.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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