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745784-01-4 | (R)-(-)-1-(4-Bromophenyl)ethyl isothiocyanate, 97%
CAS No: 745784-01-4 Catalog No: AG003C22 MDL No:
Product Description
Catalog Number:
AG003C22
Chemical Name:
(R)-(-)-1-(4-Bromophenyl)ethyl isothiocyanate, 97%
CAS Number:
745784-01-4
IUPAC Name:
1-bromo-4-[(1R)-1-isothiocyanatoethyl]benzene
InChI:
InChI=1S/C9H8BrNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChI Key:
YSTNXBHZXWCFQE-SSDOTTSWSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4.2
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