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Home > Bromides > 1226808-68-9
1226808-68-9 | Benzoic acid, 3-bromo-5-propoxy-
CAS No: 1226808-68-9 Catalog No: AG0017N3 MDL No:MFCD16295104
Product Description
Catalog Number:
AG0017N3
Chemical Name:
Benzoic acid, 3-bromo-5-propoxy-
CAS Number:
1226808-68-9
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD16295104
IUPAC Name:
3-bromo-5-propoxybenzoic acid
InChI:
InChI=1S/C10H11BrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
OFSWAAVHABKEGJ-UHFFFAOYSA-N
SMILES:
CCCOc1cc(Br)cc(c1)C(=O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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