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1000572-33-7 | 1,3-Dibromo-5-tert-butyl-2-isothiocyanatobenzene
CAS No: 1000572-33-7 Catalog No: AG01EQIQ MDL No:MFCD09878149
Product Description
Catalog Number:
AG01EQIQ
Chemical Name:
1,3-Dibromo-5-tert-butyl-2-isothiocyanatobenzene
CAS Number:
1000572-33-7
Molecular Formula:
C11H11Br2NS
Molecular Weight:
349.0847
MDL Number:
MFCD09878149
IUPAC Name:
1,3-dibromo-5-tert-butyl-2-isothiocyanatobenzene
InChI:
InChI=1S/C11H11Br2NS/c1-11(2,3)7-4-8(12)10(14-6-15)9(13)5-7/h4-5H,1-3H3
InChI Key:
ZWFILWGNONJYOW-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1Br)C(C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.896g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.084g/mol
Monoisotopic Mass:
346.898g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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