Name: Name:1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BKC8
Rating: 90 (10 reviews)

1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

2091116-27-5

Catalog Number:

AG01BKC8

Molecular Formula:

C22H20N4O4

Molecular Weight:

404.4186

Catalog Number:

AG01BKC8

Chemical Name:

1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

2091116-27-5

Molecular Formula:

C22H20N4O4

Molecular Weight:

404.4186

MDL Number:

MFCD31558788

IUPAC Name:

1-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]triazole-4-carboxylic acid

InChI:

InChI=1S/C22H20N4O4/c27-21(28)20-12-26(24-23-20)14-9-10-25(11-14)22(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,12,14,19H,9-11,13H2,(H,27,28)

InChI Key:

NMWJJDIMZCPSSJ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C1)n1nnc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

639

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.426g/mol

Monoisotopic Mass:

404.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7