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188240-69-9 | 1-Isobenzofurancarboxylic acid, 3-bromo-4,5,6,7-tetrahydro-
CAS No: 188240-69-9 Catalog No: AG002GS3 MDL No:
Product Description
Catalog Number:
AG002GS3
Chemical Name:
1-Isobenzofurancarboxylic acid, 3-bromo-4,5,6,7-tetrahydro-
CAS Number:
188240-69-9
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
3-bromo-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylic acid
InChI:
InChI=1S/C9H9BrO3/c10-8-6-4-2-1-3-5(6)7(13-8)9(11)12/h1-4H2,(H,11,12)
InChI Key:
BLYYGIVNTAAYPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc(c2c1CCCC2)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:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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