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1079-46-5 | Methyl 5-chloro-1H-indazole-3-carboxylate
CAS No: 1079-46-5 Catalog No: AG003RXJ MDL No:MFCD07371574
Product Description
Catalog Number:
AG003RXJ
Chemical Name:
Methyl 5-chloro-1H-indazole-3-carboxylate
CAS Number:
1079-46-5
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD07371574
IUPAC Name:
methyl 5-chloro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
OFHGAYNAKIWVOL-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1cc(Cl)cc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/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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