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1018812-91-3 | 1,7-Naphthyridin-4(1H)-one, 8-chloro-
CAS No: 1018812-91-3 Catalog No: AG0005TP MDL No:MFCD11501275
Product Description
Catalog Number:
AG0005TP
Chemical Name:
1,7-Naphthyridin-4(1H)-one, 8-chloro-
CAS Number:
1018812-91-3
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD11501275
IUPAC Name:
8-chloro-1H-1,7-naphthyridin-4-one
InChI:
InChI=1S/C8H5ClN2O/c9-8-7-5(1-3-11-8)6(12)2-4-10-7/h1-4H,(H,10,12)
InChI Key:
YWRIBUJMHLNUFK-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1ccnc2Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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