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Home > Aldehydes > 861521-89-3
861521-89-3 | 3,5-Dibromo-2-hydroxy-4,6-dimethyl-benzaldehyde
CAS No: 861521-89-3 Catalog No: AG01EXVP MDL No:
Product Description
Catalog Number:
AG01EXVP
Chemical Name:
3,5-Dibromo-2-hydroxy-4,6-dimethyl-benzaldehyde
CAS Number:
861521-89-3
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
3,5-dibromo-2-hydroxy-4,6-dimethylbenzaldehyde
InChI:
InChI=1S/C9H8Br2O2/c1-4-6(3-12)9(13)8(11)5(2)7(4)10/h3,13H,1-2H3
InChI Key:
IZLGYPJUOGNTOA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(Br)c(c(c1O)Br)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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