Home Halogens Thieno[3,2-d]pyrimidine, 2-chloro-4-(3-nitrophenoxy)-

Thieno[3,2-d]pyrimidine, 2-chloro-4-(3-nitrophenoxy)-

CAS No.:
1353553-07-7
Catalog Number:
AG009XHF
Molecular Formula:
C12H6ClN3O3S
Molecular Weight:
307.7123
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Product Description
Catalog Number:
AG009XHF
Chemical Name:
Thieno[3,2-d]pyrimidine, 2-chloro-4-(3-nitrophenoxy)-
CAS Number:
1353553-07-7
Molecular Formula:
C12H6ClN3O3S
Molecular Weight:
307.7123
MDL Number:
MFCD30185158
IUPAC Name:
2-chloro-4-(3-nitrophenoxy)thieno[3,2-d]pyrimidine
InChI:
InChI=1S/C12H6ClN3O3S/c13-12-14-9-4-5-20-10(9)11(15-12)19-8-3-1-2-7(6-8)16(17)18/h1-6H
InChI Key:
NZXIACCHHSKZIA-UHFFFAOYSA-N
SMILES:
Clc1nc(Oc2cccc(c2)[N+](=O)[O-])c2c(n1)ccs2
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.982g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.708g/mol
Monoisotopic Mass:
306.982g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties