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98278-99-0 | 3,4-Dibromophenyl isothiocyanate
CAS No: 98278-99-0 Catalog No: AG01F08L MDL No:MFCD09878104
Product Description
Catalog Number:
AG01F08L
Chemical Name:
3,4-Dibromophenyl isothiocyanate
CAS Number:
98278-99-0
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
MDL Number:
MFCD09878104
IUPAC Name:
1,2-dibromo-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Br2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
KEDOUGNCWCXGEC-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Br)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.833g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.976g/mol
Monoisotopic Mass:
290.835g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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