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Home > Aldehydes > 174367-69-2
174367-69-2 | 1-(3-BROMOBENZYL)-1H-INDOLE-3-CARBALDEHYDE
CAS No: 174367-69-2 Catalog No: AG00AMQO MDL No:MFCD03422506
Product Description
Catalog Number:
AG00AMQO
Chemical Name:
1-(3-BROMOBENZYL)-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
174367-69-2
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
MDL Number:
MFCD03422506
IUPAC Name:
1-[(3-bromophenyl)methyl]indole-3-carbaldehyde
InChI:
InChI=1S/C16H12BrNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2
InChI Key:
PSPUCTNWXJAVAM-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)Cc1cccc(c1)Br
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.182g/mol
Monoisotopic Mass:
313.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities. | Journal of medicinal chemistry 20110428 |
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