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210489-40-0 | Benzoic acid, 2-bromo-5-(1-methylethoxy)-
CAS No: 210489-40-0 Catalog No: AG002KT7 MDL No:MFCD24131171
Product Description
Catalog Number:
AG002KT7
Chemical Name:
Benzoic acid, 2-bromo-5-(1-methylethoxy)-
CAS Number:
210489-40-0
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD24131171
IUPAC Name:
2-bromo-5-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11BrO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
NMNBSLCYSZFEIQ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)C(=O)O)Br)C
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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