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Home > Aldehydes > 153759-58-1
153759-58-1 | 5-bromo-3-tert-butyl-2-hydroxybenzaldehyde
CAS No: 153759-58-1 Catalog No: AG00AX0N MDL No:MFCD00456060
Product Description
Catalog Number:
AG00AX0N
Chemical Name:
5-bromo-3-tert-butyl-2-hydroxybenzaldehyde
CAS Number:
153759-58-1
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD00456060
IUPAC Name:
5-bromo-3-tert-butyl-2-hydroxybenzaldehyde
InChI:
InChI=1S/C11H13BrO2/c1-11(2,3)9-5-8(12)4-7(6-13)10(9)14/h4-6,14H,1-3H3
InChI Key:
DTEMRMZXDSDCPQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1O)C(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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