Name: Name:Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-
Brand: Angene
SKU: AG002OS9
Rating: 90 (10 reviews)

Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-

CAS No.:

246166-33-6

Catalog Number:

AG002OS9

Molecular Formula:

C10H10BrNS

Molecular Weight:

256.1621

Catalog Number:

AG002OS9

Chemical Name:

Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-

CAS Number:

246166-33-6

Molecular Formula:

C10H10BrNS

Molecular Weight:

256.1621

MDL Number:

MFCD01313223

IUPAC Name:

2-bromo-1-isothiocyanato-4-propan-2-ylbenzene

InChI:

InChI=1S/C10H10BrNS/c1-7(2)8-3-4-10(12-6-13)9(11)5-8/h3-5,7H,1-2H3

InChI Key:

HEMKZBSGCAZNJG-UHFFFAOYSA-N

SMILES:

S=C=Nc1ccc(cc1Br)C(C)C

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.972g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.161g/mol

Monoisotopic Mass:

254.972g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1