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885279-52-7 | 1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester
CAS No: 885279-52-7 Catalog No: AG00459B MDL No:MFCD07371616
Product Description
Catalog Number:
AG00459B
Chemical Name:
1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester
CAS Number:
885279-52-7
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD07371616
IUPAC Name:
methyl 7-bromo-2H-indazole-3-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)8-5-3-2-4-6(10)7(5)11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
ZWIGZYXFNSNWME-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1cccc2Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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