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102367-28-2 | Thiocyanic acid, 2,3-dibromo-2-propen-1-yl ester
CAS No: 102367-28-2 Catalog No: AG0007AL MDL No:
Product Description
Catalog Number:
AG0007AL
Chemical Name:
Thiocyanic acid, 2,3-dibromo-2-propen-1-yl ester
CAS Number:
102367-28-2
Molecular Formula:
C4H3Br2NS
Molecular Weight:
256.9463
IUPAC Name:
2,3-dibromoprop-2-enyl thiocyanate
InChI:
InChI=1S/C4H3Br2NS/c5-1-4(6)2-8-3-7/h1H,2H2
InChI Key:
MKZFDUNLCSMNOX-UHFFFAOYSA-N
SMILES:
BrC(=CBr)CSC#N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.833g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.943g/mol
Monoisotopic Mass:
254.835g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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