CAS 174367-70-5 | 1-(4-BROMO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE | CAS Number 174367-70-5

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174367-70-5 | 1-(4-BROMO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE

CAS No: 174367-70-5 Catalog No: AG00APF2 MDL No:MFCD01571758

Product Description

Catalog Number:

AG00APF2

Chemical Name:

1-(4-BROMO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE

CAS Number:

174367-70-5

Molecular Formula:

C16H12BrNO

Molecular Weight:

314.1766

MDL Number:

MFCD01571758

IUPAC Name:

1-[(4-bromophenyl)methyl]indole-3-carbaldehyde

InChI:

InChI=1S/C16H12BrNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2

InChI Key:

BQCRUIDKXQZWMN-UHFFFAOYSA-N

SMILES:

O=Cc1cn(c2c1cccc2)Cc1ccc(cc1)Br

Properties

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.182g/mol

Monoisotopic Mass:

313.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501