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101670-62-6 | 1-Propene, 3-bromo-3-isothiocyanato-
CAS No: 101670-62-6 Catalog No: AG00054X MDL No:
Product Description
Catalog Number:
AG00054X
Chemical Name:
1-Propene, 3-bromo-3-isothiocyanato-
CAS Number:
101670-62-6
Molecular Formula:
C4H4BrNS
Molecular Weight:
178.0503
IUPAC Name:
3-bromo-3-isothiocyanatoprop-1-ene
InChI:
InChI=1S/C4H4BrNS/c1-2-4(5)6-3-7/h2,4H,1H2
InChI Key:
UFLSOHBWAIBDMM-UHFFFAOYSA-N
SMILES:
BrC(N=C=S)C=C
Properties
Complexity:
106
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:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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