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821791-64-4 | 1H-Indazole-1-carboxylic acid, 5-amino-, 9H-fluoren-9-ylmethyl ester
CAS No: 821791-64-4 Catalog No: AG005I64 MDL No:
Product Description
Catalog Number:
AG005I64
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-amino-, 9H-fluoren-9-ylmethyl ester
CAS Number:
821791-64-4
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
9H-fluoren-9-ylmethyl 5-aminoindazole-1-carboxylate
InChI:
InChI=1S/C22H17N3O2/c23-15-9-10-21-14(11-15)12-24-25(21)22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13,23H2
InChI Key:
MLPKZFCDWFIRCJ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cnn2C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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