Home Halogens 1,8-Naphthyridin-2(1H)-one, 7-amino-4-(chloromethyl)-

1,8-Naphthyridin-2(1H)-one, 7-amino-4-(chloromethyl)-

CAS No.:
130056-88-1
Catalog Number:
AG000TYD
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
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Product Description
Catalog Number:
AG000TYD
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 7-amino-4-(chloromethyl)-
CAS Number:
130056-88-1
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD27996657
IUPAC Name:
7-amino-4-(chloromethyl)-1H-1,8-naphthyridin-2-one
InChI:
InChI=1S/C9H8ClN3O/c10-4-5-3-8(14)13-9-6(5)1-2-7(11)12-9/h1-3H,4H2,(H3,11,12,13,14)
InChI Key:
UHVCCXMNBLZSGH-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)[nH]c2c1ccc(n2)N
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties