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90001-46-0 | 2,5-dibromo-6-chloro-4-hydroxy-3-methoxybenzaldehyde
CAS No: 90001-46-0 Catalog No: AG006MEM MDL No:
Product Description
Catalog Number:
AG006MEM
Chemical Name:
2,5-dibromo-6-chloro-4-hydroxy-3-methoxybenzaldehyde
CAS Number:
90001-46-0
Molecular Formula:
C8H5Br2ClO3
Molecular Weight:
344.3845
IUPAC Name:
2,5-dibromo-6-chloro-4-hydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H5Br2ClO3/c1-14-8-4(9)3(2-12)6(11)5(10)7(8)13/h2,13H,1H3
InChI Key:
XIFXEZFZRHUFAX-UHFFFAOYSA-N
SMILES:
COc1c(O)c(Br)c(c(c1Br)C=O)Cl
NSC Number:
95789
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.827g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.383g/mol
Monoisotopic Mass:
341.829g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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