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Home > Bromides > 1167056-31-6
1167056-31-6 | 1H-Indazole, 3,4-dibromo-5-methoxy-
CAS No: 1167056-31-6 Catalog No: AG000D3B MDL No:
Product Description
Catalog Number:
AG000D3B
Chemical Name:
1H-Indazole, 3,4-dibromo-5-methoxy-
CAS Number:
1167056-31-6
Molecular Formula:
C8H6Br2N2O
Molecular Weight:
305.9540
IUPAC Name:
3,4-dibromo-5-methoxy-2H-indazole
InChI:
InChI=1S/C8H6Br2N2O/c1-13-5-3-2-4-6(7(5)9)8(10)12-11-4/h2-3H,1H3,(H,11,12)
InChI Key:
YNVCADVECWFANC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1Br)c(Br)n[nH]2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.883g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.957g/mol
Monoisotopic Mass:
303.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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