Name: Name:Benzene, 2-bromo-1-isothiocyanato-4-methyl-
Brand: Angene
SKU: AG002FYE
Rating: 90 (10 reviews)

Benzene, 2-bromo-1-isothiocyanato-4-methyl-

CAS No.:

19241-39-5

Catalog Number:

AG002FYE

Molecular Formula:

C8H6BrNS

Molecular Weight:

228.1089

Catalog Number:

AG002FYE

Chemical Name:

Benzene, 2-bromo-1-isothiocyanato-4-methyl-

CAS Number:

19241-39-5

Molecular Formula:

C8H6BrNS

Molecular Weight:

228.1089

MDL Number:

MFCD00041040

IUPAC Name:

2-bromo-1-isothiocyanato-4-methylbenzene

InChI:

InChI=1S/C8H6BrNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3

InChI Key:

DQXSCOWMTPPFCJ-UHFFFAOYSA-N

SMILES:

S=C=Nc1ccc(cc1Br)C

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.94g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.107g/mol

Monoisotopic Mass:

226.94g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4