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885520-83-2 | 4-Bromo-6-methoxy-1H-indazole
CAS No: 885520-83-2 Catalog No: AG0036B3 MDL No:MFCD08272208
Product Description
Catalog Number:
AG0036B3
Chemical Name:
4-Bromo-6-methoxy-1H-indazole
CAS Number:
885520-83-2
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD08272208
IUPAC Name:
4-bromo-6-methoxy-1H-indazole
InChI:
InChI=1S/C8H7BrN2O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11)
InChI Key:
OXGWZLFBKVMEGE-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c2c(c1)[nH]nc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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