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Home > Aldehydes > 246139-77-5
246139-77-5 | Benzaldehyde, 2-bromo-4-(1,1-dimethylethyl)-
CAS No: 246139-77-5 Catalog No: AG002ORC MDL No:MFCD09029651
Product Description
Catalog Number:
AG002ORC
Chemical Name:
Benzaldehyde, 2-bromo-4-(1,1-dimethylethyl)-
CAS Number:
246139-77-5
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD09029651
IUPAC Name:
2-bromo-4-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H13BrO/c1-11(2,3)9-5-4-8(7-13)10(12)6-9/h4-7H,1-3H3
InChI Key:
WVCSDKHZXVXDMV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Br)C(C)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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