Home Carboxys 4-(4-Bromophenyl)oxane-4-carboxylic acid

4-(4-Bromophenyl)oxane-4-carboxylic acid

CAS No.:
1152567-60-6
Catalog Number:
AG00HCYI
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
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Product Description
Catalog Number:
AG00HCYI
Chemical Name:
4-(4-Bromophenyl)oxane-4-carboxylic acid
CAS Number:
1152567-60-6
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD10693768
IUPAC Name:
4-(4-bromophenyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C12H13BrO3/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H,14,15)
InChI Key:
VTAWBRQRLDUOOG-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)c1ccc(cc1)Br
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties