Name: Name:2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropanenitrile
Brand: Angene
SKU: AG01C15O
Rating: 90 (10 reviews)

2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropanenitrile

CAS No.:

1275190-08-3

Catalog Number:

AG01C15O

Molecular Formula:

C11H12BrNO2

Molecular Weight:

270.1225

Catalog Number:

AG01C15O

Chemical Name:

2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropanenitrile

CAS Number:

1275190-08-3

Molecular Formula:

C11H12BrNO2

Molecular Weight:

270.1225

MDL Number:

MFCD18294425

IUPAC Name:

2-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypropanenitrile

InChI:

InChI=1S/C11H12BrNO2/c1-15-11-3-2-8(5-10(11)12)4-9(6-13)7-14/h2-3,5,9,14H,4,7H2,1H3

InChI Key:

YYPUGKFPCIDECZ-UHFFFAOYSA-N

SMILES:

OCC(Cc1ccc(c(c1)Br)OC)C#N

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.126g/mol

Monoisotopic Mass:

269.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9