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1849-76-9 | 3-Bromo-5-chloro-4-hydroxybenzaldehyde
CAS No: 1849-76-9 Catalog No: AG003J2K MDL No:MFCD04129026
Product Description
Catalog Number:
AG003J2K
Chemical Name:
3-Bromo-5-chloro-4-hydroxybenzaldehyde
CAS Number:
1849-76-9
Molecular Formula:
C7H4BrClO2
Molecular Weight:
235.4625
MDL Number:
MFCD04129026
IUPAC Name:
3-bromo-5-chloro-4-hydroxybenzaldehyde
InChI:
InChI=1S/C7H4BrClO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChI Key:
ITSXSHQWMYYQQY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(c(c1)Br)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.908g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.461g/mol
Monoisotopic Mass:
233.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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