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101688-02-2

101688-02-2 | Naphtho[2,1-b]furan-7-amine, N,N-bis(2-chloroethyl)-2-nitro-

CAS No: 101688-02-2 Catalog No: AG00057N MDL No:

Product Description

Catalog Number:
AG00057N
Chemical Name:
Naphtho[2,1-b]furan-7-amine, N,N-bis(2-chloroethyl)-2-nitro-
CAS Number:
101688-02-2
Molecular Formula:
C16H14Cl2N2O3
Molecular Weight:
353.2000
IUPAC Name:
N,N-bis(2-chloroethyl)-2-nitrobenzo[e][1]benzofuran-7-amine
InChI:
InChI=1S/C16H14Cl2N2O3/c17-5-7-19(8-6-18)12-2-3-13-11(9-12)1-4-15-14(13)10-16(23-15)20(21)22/h1-4,9-10H,5-8H2
InChI Key:
BEYPOADXXCEGDU-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.038g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.199g/mol
Monoisotopic Mass:
352.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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