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102367-27-1 | Thiocyanic acid, 3-bromo-2-propen-1-yl ester
CAS No: 102367-27-1 Catalog No: AG0007AM MDL No:
Product Description
Catalog Number:
AG0007AM
Chemical Name:
Thiocyanic acid, 3-bromo-2-propen-1-yl ester
CAS Number:
102367-27-1
Molecular Formula:
C4H4BrNS
Molecular Weight:
178.0503
IUPAC Name:
3-bromoprop-2-enyl thiocyanate
InChI:
InChI=1S/C4H4BrNS/c5-2-1-3-7-4-6/h1-2H,3H2
InChI Key:
FKXFKGRLGSKMOZ-UHFFFAOYSA-N
SMILES:
BrC=CCSC#N
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.925g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.047g/mol
Monoisotopic Mass:
176.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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