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55757-32-9 | 2-Bromophenylthiocyanate
CAS No: 55757-32-9 Catalog No: AG01EWG9 MDL No:MFCD08461757
Product Description
Catalog Number:
AG01EWG9
Chemical Name:
2-Bromophenylthiocyanate
CAS Number:
55757-32-9
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD08461757
IUPAC Name:
(2-bromophenyl) thiocyanate
InChI:
InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)10-5-9/h1-4H
InChI Key:
YGLCJPXYKGCEIZ-UHFFFAOYSA-N
SMILES:
N#CSc1ccccc1Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.925g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.08g/mol
Monoisotopic Mass:
212.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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