Name: Name:2-[(3-bromo-4-methylphenyl)methyl]-3-hydroxypropanenitrile
Brand: Angene
SKU: AG01C15P
Rating: 90 (10 reviews)

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

CAS No.:

1909316-52-4

Catalog Number:

AG01C15P

Molecular Formula:

C11H12BrNO

Molecular Weight:

254.1231

Catalog Number:

AG01C15P

Chemical Name:

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

CAS Number:

1909316-52-4

Molecular Formula:

C11H12BrNO

Molecular Weight:

254.1231

MDL Number:

MFCD29047249

IUPAC Name:

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

InChI:

InChI=1S/C11H12BrNO/c1-8-2-3-9(5-11(8)12)4-10(6-13)7-14/h2-3,5,10,14H,4,7H2,1H3

InChI Key:

JOGNGGHLBHXUIC-UHFFFAOYSA-N

SMILES:

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

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.127g/mol

Monoisotopic Mass:

253.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3