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101670-66-0

101670-66-0 | 1-Propene, 1,2-dibromo-3-isothiocyanato-

CAS No: 101670-66-0 Catalog No: AG00054T MDL No:

Product Description

Catalog Number:
AG00054T
Chemical Name:
1-Propene, 1,2-dibromo-3-isothiocyanato-
CAS Number:
101670-66-0
Molecular Formula:
C4H3Br2NS
Molecular Weight:
256.9463
IUPAC Name:
1,2-dibromo-3-isothiocyanatoprop-1-ene
InChI:
InChI=1S/C4H3Br2NS/c5-1-4(6)2-7-3-8/h1H,2H2
InChI Key:
IKBZNDKOVJFTTO-UHFFFAOYSA-N
SMILES:
BrC(=CBr)CN=C=S

Properties

Complexity:
137  
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:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.2  

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