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Home > Bromides > 1338495-18-3
1338495-18-3 | 4-[(2-Bromophenyl)methyl]oxane-4-carboxylic acid
CAS No: 1338495-18-3 Catalog No: AG01F9HV MDL No:
Product Description
Catalog Number:
AG01F9HV
Chemical Name:
4-[(2-Bromophenyl)methyl]oxane-4-carboxylic acid
CAS Number:
1338495-18-3
Molecular Formula:
C13H15BrO3
Molecular Weight:
299.1604
IUPAC Name:
4-[(2-bromophenyl)methyl]oxane-4-carboxylic acid
InChI:
InChI=1S/C13H15BrO3/c14-11-4-2-1-3-10(11)9-13(12(15)16)5-7-17-8-6-13/h1-4H,5-9H2,(H,15,16)
InChI Key:
KNUKYJSOCAESOM-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)Cc1ccccc1Br
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.164g/mol
Monoisotopic Mass:
298.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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