Home Halogens 4-bromo-2-(1-carboxycyclopropyl)benzoic acid

4-bromo-2-(1-carboxycyclopropyl)benzoic acid

CAS No.:
1314780-82-9
Catalog Number:
AG01AMT7
Molecular Formula:
C11H9BrO4
Molecular Weight:
285.0908
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Product Description
Catalog Number:
AG01AMT7
Chemical Name:
4-bromo-2-(1-carboxycyclopropyl)benzoic acid
CAS Number:
1314780-82-9
Molecular Formula:
C11H9BrO4
Molecular Weight:
285.0908
MDL Number:
MFCD19693537
IUPAC Name:
4-bromo-2-(1-carboxycyclopropyl)benzoic acid
InChI:
InChI=1S/C11H9BrO4/c12-6-1-2-7(9(13)14)8(5-6)11(3-4-11)10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChI Key:
OUGUCALZSNJCTK-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C1(CC1)C(=O)O)C(=O)O
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.968g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.093g/mol
Monoisotopic Mass:
283.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties