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887029-50-7 | 3-Bromo-4-(tetrahydro-2-furanylmethoxy)-benzoic acid
CAS No: 887029-50-7 Catalog No: AG01FOBD MDL No:
Product Description
Catalog Number:
AG01FOBD
Chemical Name:
3-Bromo-4-(tetrahydro-2-furanylmethoxy)-benzoic acid
CAS Number:
887029-50-7
IUPAC Name:
3-bromo-4-(oxolan-2-ylmethoxy)benzoic acid
InChI:
InChI=1S/C12H13BrO4/c13-10-6-8(12(14)15)3-4-11(10)17-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChI Key:
WOSBDIDLNRBELL-UHFFFAOYSA-N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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