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Home > Aldehydes > 828916-47-8
828916-47-8 | Benzaldehyde, 2-bromo-5-(dimethylamino)-
CAS No: 828916-47-8 Catalog No: AG004S8S MDL No:
Product Description
Catalog Number:
AG004S8S
Chemical Name:
Benzaldehyde, 2-bromo-5-(dimethylamino)-
CAS Number:
828916-47-8
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
2-bromo-5-(dimethylamino)benzaldehyde
InChI:
InChI=1S/C9H10BrNO/c1-11(2)8-3-4-9(10)7(5-8)6-12/h3-6H,1-2H3
InChI Key:
GWQSBLOOKPOMIM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)N(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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