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898747-24-5 | Methyl 5-bromo-1H-indazole-7-carboxylate
CAS No: 898747-24-5 Catalog No: AG00370I MDL No:MFCD08458991
Product Description
Catalog Number:
AG00370I
Chemical Name:
Methyl 5-bromo-1H-indazole-7-carboxylate
CAS Number:
898747-24-5
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD08458991
IUPAC Name:
methyl 5-bromo-1H-indazole-7-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-6(10)2-5-4-11-12-8(5)7/h2-4H,1H3,(H,11,12)
InChI Key:
QQXHHJBRURQNLO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1[nH]nc2
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:
2.1
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