200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 1007476-86-9

1007476-86-9

1007476-86-9 | 2-NP-AHD-13C3

CAS No: 1007476-86-9 Catalog No: AG0002RD MDL No:

Product Description

Catalog Number:
AG0002RD
Chemical Name:
2-NP-AHD-13C3
CAS Number:
1007476-86-9
Molecular Formula:
C10H8N4O4
Molecular Weight:
251.1729
IUPAC Name:
1-[(2-nitrophenyl)methylideneamino]-(2,4,5-13C3)1,3-diazolidine-2,4-dione
InChI:
InChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16)/i6+1,9+1,10+1
InChI Key:
FULJCJZKZXOFQZ-BLTSRDRCSA-N
SMILES:
O=[13C]1N[13C](=O)N([13CH2]1)/N=C/c1ccccc1[N+](=O)[O-]

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.065g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
251.175g/mol
Monoisotopic Mass:
251.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.6  

Related Products

© 2019 Angene International Limited. All rights Reserved.