Home Halogens 2-[(2-bromophenyl)methyl]propanedioic acid

2-[(2-bromophenyl)methyl]propanedioic acid

CAS No.:
58380-12-4
Catalog Number:
AG01A5L8
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
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Product Description
Catalog Number:
AG01A5L8
Chemical Name:
2-[(2-bromophenyl)methyl]propanedioic acid
CAS Number:
58380-12-4
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
MDL Number:
MFCD03003303
IUPAC Name:
2-[(2-bromophenyl)methyl]propanedioic acid
InChI:
InChI=1S/C10H9BrO4/c11-8-4-2-1-3-6(8)5-7(9(12)13)10(14)15/h1-4,7H,5H2,(H,12,13)(H,14,15)
InChI Key:
VCSBDMWPFZZEHM-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1ccccc1Br
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties