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918311-75-8

918311-75-8 | Carbonic acid, 4-nitrophenyl[4-[[(pentyloxy)carbonyl]amino]phenyl]methyl ester

CAS No: 918311-75-8 Catalog No: AG006GG2 MDL No:

Product Description

Catalog Number:
AG006GG2
Chemical Name:
Carbonic acid, 4-nitrophenyl[4-[[(pentyloxy)carbonyl]amino]phenyl]methyl ester
CAS Number:
918311-75-8
Molecular Formula:
C20H21N2O7-
Molecular Weight:
401.3899
IUPAC Name:
[(4-nitrophenyl)-[4-(pentoxycarbonylamino)phenyl]methyl] carbonate
InChI:
InChI=1S/C20H22N2O7/c1-2-3-4-13-28-19(23)21-16-9-5-14(6-10-16)18(29-20(24)25)15-7-11-17(12-8-15)22(26)27/h5-12,18H,2-4,13H2,1H3,(H,21,23)(H,24,25)/p-1
InChI Key:
VTNRDNYJZKOEAS-UHFFFAOYSA-M
SMILES:
CCCCCOC(=O)Nc1ccc(cc1)C(c1ccc(cc1)[N+](=O)[O-])OC(=O)[O-]

Properties

Complexity:
530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.135g/mol
Formal Charge:
-1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
401.395g/mol
Monoisotopic Mass:
401.135g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  

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