Home Other Building Blocks BUTTPARK 120\07-79

BUTTPARK 120\07-79

CAS No.:
874840-87-6
Catalog Number:
AG004EOW
Molecular Formula:
C8H6INO2
Molecular Weight:
275.0432
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Product Description
Catalog Number:
AG004EOW
Chemical Name:
BUTTPARK 120\07-79
CAS Number:
874840-87-6
Molecular Formula:
C8H6INO2
Molecular Weight:
275.0432
MDL Number:
MFCD07774202
IUPAC Name:
7-iodo-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6INO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:
RNGWLYQJCXPBKZ-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)ccc(c2)I
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.944g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.045g/mol
Monoisotopic Mass:
274.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties