Name: Name:Propanedinitrile, (2-bromo-1-phenylethylidene)-
Brand: Angene
SKU: AG00I8KU
Rating: 90 (10 reviews)

Propanedinitrile, (2-bromo-1-phenylethylidene)-

CAS No.:

4651-78-9

Catalog Number:

AG00I8KU

Molecular Formula:

C11H7BrN2

Molecular Weight:

247.0907

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Product Description

Catalog Number:

AG00I8KU

Chemical Name:

Propanedinitrile, (2-bromo-1-phenylethylidene)-

CAS Number:

4651-78-9

Molecular Formula:

C11H7BrN2

Molecular Weight:

247.0907

MDL Number:

MFCD00465892

IUPAC Name:

2-(2-bromo-1-phenylethylidene)propanedinitrile

InChI:

InChI=1S/C11H7BrN2/c12-6-11(10(7-13)8-14)9-4-2-1-3-5-9/h1-5H,6H2

InChI Key:

BPAMXRJMUZGKJQ-UHFFFAOYSA-N

SMILES:

BrCC(=C(C#N)C#N)c1ccccc1

Properties

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.095g/mol

Monoisotopic Mass:

245.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Stereoselective reduction with NADH model BNAH through chiral induction in cyclodextrins.	Bioorganic chemistry 20010201