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Home > Bromides > 1208077-71-7
1208077-71-7 | 2-Bromo-4-ethylphenylisothiocyanate
CAS No: 1208077-71-7 Catalog No: AG01FDTW MDL No:MFCD12922546
Product Description
Catalog Number:
AG01FDTW
Chemical Name:
2-Bromo-4-ethylphenylisothiocyanate
CAS Number:
1208077-71-7
Molecular Formula:
C9H8BrNS
Molecular Weight:
242.1355
MDL Number:
MFCD12922546
IUPAC Name:
2-bromo-4-ethyl-1-isothiocyanatobenzene
InChI:
InChI=1S/C9H8BrNS/c1-2-7-3-4-9(11-6-12)8(10)5-7/h3-5H,2H2,1H3
InChI Key:
ALUMYSWTGKEARS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Br)CC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.134g/mol
Monoisotopic Mass:
240.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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