Name: Name:2-(3-Bromo-4-hydroxy-5-methoxyphenyl)acetonitrile
Brand: Angene
SKU: AG00503C
Rating: 90 (10 reviews)

2-(3-Bromo-4-hydroxy-5-methoxyphenyl)acetonitrile

CAS No.:

81038-44-0

Catalog Number:

AG00503C

Molecular Formula:

C9H8BrNO2

Molecular Weight:

242.0693

Catalog Number:

AG00503C

Chemical Name:

2-(3-Bromo-4-hydroxy-5-methoxyphenyl)acetonitrile

CAS Number:

81038-44-0

Molecular Formula:

C9H8BrNO2

Molecular Weight:

242.0693

MDL Number:

MFCD00060307

IUPAC Name:

2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile

InChI:

InChI=1S/C9H8BrNO2/c1-13-8-5-6(2-3-11)4-7(10)9(8)12/h4-5,12H,2H2,1H3

InChI Key:

VMARCRAWRNPBBQ-UHFFFAOYSA-N

SMILES:

N#CCc1cc(OC)c(c(c1)Br)O

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.072g/mol

Monoisotopic Mass:

240.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9