Home Halogens 3-{2-[(3-bromophenyl)methoxy]phenyl}prop-2-enoic acid

3-{2-[(3-bromophenyl)methoxy]phenyl}prop-2-enoic acid

CAS No.:
1087789-75-0
Catalog Number:
AG01AB56
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
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Product Description
Catalog Number:
AG01AB56
Chemical Name:
3-{2-[(3-bromophenyl)methoxy]phenyl}prop-2-enoic acid
CAS Number:
1087789-75-0
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
MDL Number:
MFCD17977069
IUPAC Name:
(E)-3-[2-[(3-bromophenyl)methoxy]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H13BrO3/c17-14-6-3-4-12(10-14)11-20-15-7-2-1-5-13(15)8-9-16(18)19/h1-10H,11H2,(H,18,19)/b9-8+
InChI Key:
VRMAVMYHDUTYGJ-CMDGGOBGSA-N
SMILES:
OC(=O)C=Cc1ccccc1OCc1cccc(c1)Br
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties