200,000+ products from a single source!
sales@angenechem.com
125440-98-4 | Acetamide, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl-3,5-t2)ethyl]- (9CI)
CAS No: 125440-98-4 Catalog No: AG000NP7 MDL No:
Product Description
Catalog Number:
AG000NP7
Chemical Name:
Acetamide, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl-3,5-t2)ethyl]- (9CI)
CAS Number:
125440-98-4
Molecular Formula:
C11H12Cl2N2O5
Molecular Weight:
323.1294
IUPAC Name:
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitro-3,5-ditritiophenyl)propan-2-yl]acetamide
InChI:
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1/i3T,4T
InChI Key:
WIIZWVCIJKGZOK-SSNHQJQASA-N
SMILES:
OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
2
Molecular Weight:
327.142g/mol
Monoisotopic Mass:
326.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.