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1141-24-8 | Pentanedioic acid, 3-(4-bromophenyl)-
CAS No: 1141-24-8 Catalog No: AG000AKG MDL No:MFCD09032971
Product Description
Catalog Number:
AG000AKG
Chemical Name:
Pentanedioic acid, 3-(4-bromophenyl)-
CAS Number:
1141-24-8
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
MDL Number:
MFCD09032971
IUPAC Name:
3-(4-bromophenyl)pentanedioic acid
InChI:
InChI=1S/C11H11BrO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChI Key:
ZSYRDSTUBZGDKI-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)Br)CC(=O)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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