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1279863-38-5 | 1H-Indazole-5-carboxylic acid, 3-iodo-, ethyl ester
CAS No: 1279863-38-5 Catalog No: AG000XN7 MDL No:
Product Description
Catalog Number:
AG000XN7
Chemical Name:
1H-Indazole-5-carboxylic acid, 3-iodo-, ethyl ester
CAS Number:
1279863-38-5
Molecular Formula:
C10H9IN2O2
Molecular Weight:
316.0951
IUPAC Name:
ethyl 3-iodo-2H-indazole-5-carboxylate
InChI:
InChI=1S/C10H9IN2O2/c1-2-15-10(14)6-3-4-8-7(5-6)9(11)13-12-8/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
ZULBYKANHBUAOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(I)n[nH]2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.098g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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