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130662-48-5 | 1(3H)-Isobenzofuranone, 4-bromo-7-methoxy-
CAS No: 130662-48-5 Catalog No: AG000US4 MDL No:
Product Description
Catalog Number:
AG000US4
Chemical Name:
1(3H)-Isobenzofuranone, 4-bromo-7-methoxy-
CAS Number:
130662-48-5
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
IUPAC Name:
4-bromo-7-methoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C9H7BrO3/c1-12-7-3-2-6(10)5-4-13-9(11)8(5)7/h2-3H,4H2,1H3
InChI Key:
BYNUDOVYMIDAOM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)OC2)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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