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Home > Bromides > 1208074-82-1
1208074-82-1 | 4-Bromo-6-ethyl-2-methylphenylisothiocyanate
CAS No: 1208074-82-1 Catalog No: AG01FAK8 MDL No:MFCD12547780
Product Description
Catalog Number:
AG01FAK8
Chemical Name:
4-Bromo-6-ethyl-2-methylphenylisothiocyanate
CAS Number:
1208074-82-1
Molecular Formula:
C10H10BrNS
Molecular Weight:
256.1621
MDL Number:
MFCD12547780
IUPAC Name:
5-bromo-1-ethyl-2-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C10H10BrNS/c1-3-8-5-9(11)4-7(2)10(8)12-6-13/h4-5H,3H2,1-2H3
InChI Key:
APZCAOAVAOAXCP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cc(cc1CC)Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.161g/mol
Monoisotopic Mass:
254.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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