200,000+ products from a single source!
sales@angenechem.com
874840-87-6 | 7-Iodo-2H-benzo[b][1,4]oxazin-3(4H);-one
CAS No: 874840-87-6 Catalog No: AG004EOW MDL No:MFCD07774202
Product Description
Catalog Number:
AG004EOW
Chemical Name:
7-Iodo-2H-benzo[b][1,4]oxazin-3(4H);-one
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
Related Products
© 2019 Angene International Limited. All rights Reserved.