200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1000577-77-4
1000577-77-4 | 4-Bromo-2,6-diethylphenyl isothiocyanate
CAS No: 1000577-77-4 Catalog No: AG01F3GX MDL No:MFCD09878113
Product Description
Catalog Number:
AG01F3GX
Chemical Name:
4-Bromo-2,6-diethylphenyl isothiocyanate
CAS Number:
1000577-77-4
Molecular Formula:
C11H12BrNS
Molecular Weight:
270.1887
MDL Number:
MFCD09878113
IUPAC Name:
5-bromo-1,3-diethyl-2-isothiocyanatobenzene
InChI:
InChI=1S/C11H12BrNS/c1-3-8-5-10(12)6-9(4-2)11(8)13-7-14/h5-6H,3-4H2,1-2H3
InChI Key:
AHSBEJJMBBGQLP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(CC)cc(cc1CC)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.188g/mol
Monoisotopic Mass:
268.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.