Home Halogens 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:
1267094-33-6
Catalog Number:
AG01B1H5
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
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Product Description
Catalog Number:
AG01B1H5
Chemical Name:
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
1267094-33-6
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
MDL Number:
MFCD19375176
IUPAC Name:
8-chloro-2-methyl-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8ClNO2/c1-5-9(12)11-7-4-2-3-6(10)8(7)13-5/h2-5H,1H3,(H,11,12)
InChI Key:
RKTNURQZKNDYPV-UHFFFAOYSA-N
SMILES:
O=C1Nc2cccc(c2OC1C)Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties