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Home > Bromides > 1224713-90-9
1224713-90-9 | 1,3-Benzenediol, 5-[(1E)-2-(4-bromophenyl)ethenyl]-
CAS No: 1224713-90-9 Catalog No: AG00179X MDL No:MFCD00238583
Product Description
Catalog Number:
AG00179X
Chemical Name:
1,3-Benzenediol, 5-[(1E)-2-(4-bromophenyl)ethenyl]-
CAS Number:
1224713-90-9
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
MDL Number:
MFCD00238583
IUPAC Name:
5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
InChI:
InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
InChI Key:
NCJVLKFAQIWASE-OWOJBTEDSA-N
SMILES:
Brc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
289.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.144g/mol
Monoisotopic Mass:
289.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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