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Home > Aldehydes > 1000343-50-9
1000343-50-9 | 1H-Indazole-3-carboxaldehyde, 5-bromo-7-nitro-
CAS No: 1000343-50-9 Catalog No: AG0000LO MDL No:
Product Description
Catalog Number:
AG0000LO
Chemical Name:
1H-Indazole-3-carboxaldehyde, 5-bromo-7-nitro-
CAS Number:
1000343-50-9
Molecular Formula:
C8H4BrN3O3
Molecular Weight:
270.0397
IUPAC Name:
5-bromo-7-nitro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H4BrN3O3/c9-4-1-5-6(3-13)10-11-8(5)7(2-4)12(14)15/h1-3H,(H,10,11)
InChI Key:
RAWCJRDAGJWKNX-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1cc(Br)cc2[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.944g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.042g/mol
Monoisotopic Mass:
268.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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