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Home > Aldehydes > 1112210-93-1
1112210-93-1 | 3-bromo-5-propan-2-ylbenzaldehyde
CAS No: 1112210-93-1 Catalog No: AG01DD05 MDL No:MFCD22543651
Product Description
Catalog Number:
AG01DD05
Chemical Name:
3-bromo-5-propan-2-ylbenzaldehyde
CAS Number:
1112210-93-1
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD22543651
IUPAC Name:
3-bromo-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11BrO/c1-7(2)9-3-8(6-12)4-10(11)5-9/h3-7H,1-2H3
InChI Key:
DHRBQVRECXNDKZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1)C(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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