200,000+ products from a single source!
sales@angenechem.com
138173-16-7 | 2,1-Benzisoxazole-4,7-dione, 5-[(4-bromophenyl)amino]-3-methoxy-
CAS No: 138173-16-7 Catalog No: AG00184U MDL No:
Product Description
Catalog Number:
AG00184U
Chemical Name:
2,1-Benzisoxazole-4,7-dione, 5-[(4-bromophenyl)amino]-3-methoxy-
CAS Number:
138173-16-7
Molecular Formula:
C14H9BrN2O4
Molecular Weight:
349.1363
IUPAC Name:
5-(4-bromoanilino)-3-methoxy-2,1-benzoxazole-4,7-dione
InChI:
InChI=1S/C14H9BrN2O4/c1-20-14-11-12(17-21-14)10(18)6-9(13(11)19)16-8-4-2-7(15)3-5-8/h2-6,16H,1H3
InChI Key:
CVMLVRRDMMHKOE-UHFFFAOYSA-N
SMILES:
COc1onc2c1C(=O)C(=CC2=O)Nc1ccc(cc1)Br
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.975g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.14g/mol
Monoisotopic Mass:
347.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.