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885279-56-1 | Ethyl 7-bromo-1H-indazole-3-carboxylate
CAS No: 885279-56-1 Catalog No: AG0047AJ MDL No:MFCD07371617
Product Description
Catalog Number:
AG0047AJ
Chemical Name:
Ethyl 7-bromo-1H-indazole-3-carboxylate
CAS Number:
885279-56-1
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD07371617
IUPAC Name:
ethyl 7-bromo-2H-indazole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-6-4-3-5-7(11)8(6)12-13-9/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
ALDNDGYLRZWKNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1cccc2Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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