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20197-97-1 | 4(3H)-Quinazolinone, 2-chloro-6-methoxy-
CAS No: 20197-97-1 Catalog No: AG0027YO MDL No:MFCD11520692
Product Description
Catalog Number:
AG0027YO
Chemical Name:
4(3H)-Quinazolinone, 2-chloro-6-methoxy-
CAS Number:
20197-97-1
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD11520692
IUPAC Name:
2-chloro-6-methoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7ClN2O2/c1-14-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H,11,12,13)
InChI Key:
RZBPTLOVZCUBRS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)[nH]c(n2)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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