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Home > Aldehydes > 1516601-02-7
1516601-02-7 | 4-bromo-2-hydroxy-3,6-dimethylbenzaldehyde
CAS No: 1516601-02-7 Catalog No: AG01EMDU MDL No:MFCD31629325
Product Description
Catalog Number:
AG01EMDU
Chemical Name:
4-bromo-2-hydroxy-3,6-dimethylbenzaldehyde
CAS Number:
1516601-02-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD31629325
IUPAC Name:
4-bromo-2-hydroxy-3,6-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-5-3-8(10)6(2)9(12)7(5)4-11/h3-4,12H,1-2H3
InChI Key:
BZDXEZBUMGAKCJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1O)C)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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