Name: Name:Benzene, 1,3-dibromo-2-isocyanato-5-(1-methylethyl)-
Brand: Angene
SKU: AG0030W9
Rating: 90 (10 reviews)

Benzene, 1,3-dibromo-2-isocyanato-5-(1-methylethyl)-

CAS No.:

306935-84-2

Catalog Number:

AG0030W9

Molecular Formula:

C10H9Br2NO

Molecular Weight:

318.9926

Catalog Number:

AG0030W9

Chemical Name:

Benzene, 1,3-dibromo-2-isocyanato-5-(1-methylethyl)-

CAS Number:

306935-84-2

Molecular Formula:

C10H9Br2NO

Molecular Weight:

318.9926

MDL Number:

MFCD00832699

IUPAC Name:

1,3-dibromo-2-isocyanato-5-propan-2-ylbenzene

InChI:

InChI=1S/C10H9Br2NO/c1-6(2)7-3-8(11)10(13-5-14)9(12)4-7/h3-4,6H,1-2H3

InChI Key:

AIQYHXAROYBPBR-UHFFFAOYSA-N

SMILES:

CC(c1cc(Br)c(c(c1)Br)N=C=O)C

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.903g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.996g/mol

Monoisotopic Mass:

316.905g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2