Home Halogens 4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole

4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole

CAS No.:
1909318-74-6
Catalog Number:
AG01C3IO
Molecular Formula:
C10H5ClFN3
Molecular Weight:
221.6182
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Product Description
Catalog Number:
AG01C3IO
Chemical Name:
4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
CAS Number:
1909318-74-6
Molecular Formula:
C10H5ClFN3
Molecular Weight:
221.6182
MDL Number:
MFCD29060473
IUPAC Name:
4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
InChI:
InChI=1S/C10H5ClFN3/c11-9-8-6-2-1-5(12)3-7(6)15-10(8)14-4-13-9/h1-4H,(H,13,14,15)
InChI Key:
UDJKRUAGOMTODO-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c1c2c(Cl)ncn1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.619g/mol
Monoisotopic Mass:
221.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties