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2973-80-0 | Benzaldehyde, 2-bromo-5-hydroxy-
CAS No: 2973-80-0 Catalog No: AG002Z8S MDL No:MFCD03033065
Product Description
Catalog Number:
AG002Z8S
Chemical Name:
Benzaldehyde, 2-bromo-5-hydroxy-
CAS Number:
2973-80-0
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD03033065
IUPAC Name:
2-bromo-5-hydroxybenzaldehyde
InChI:
InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChI Key:
SCRQAWQJSSKCFN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)ccc1Br
NSC Number:
680715
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.019g/mol
Monoisotopic Mass:
199.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Redetermination of 4-hydroxy-benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20080101 |
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