200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 182277-12-9
182277-12-9 | 2-Pyrrolidinecarboxaldehyde, 1-(2-azido-5-methylbenzoyl)-, (2S)-
CAS No: 182277-12-9 Catalog No: AG0023JV MDL No:
Product Description
Catalog Number:
AG0023JV
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 1-(2-azido-5-methylbenzoyl)-, (2S)-
CAS Number:
182277-12-9
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
IUPAC Name:
(2S)-1-(2-azido-5-methylbenzoyl)pyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C13H14N4O2/c1-9-4-5-12(15-16-14)11(7-9)13(19)17-6-2-3-10(17)8-18/h4-5,7-8,10H,2-3,6H2,1H3/t10-/m0/s1
InChI Key:
KSHYBZCVVBMGDL-JTQLQIEISA-N
SMILES:
O=C[C@@H]1CCCN1C(=O)c1cc(C)ccc1N=[N+]=[N-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.