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2957-95-1 | Cyclobutene, 3,4-dichloro-, (3R,4S)-rel-
CAS No: 2957-95-1 Catalog No: AG002YS6 MDL No:
Product Description
Catalog Number:
AG002YS6
Chemical Name:
Cyclobutene, 3,4-dichloro-, (3R,4S)-rel-
CAS Number:
2957-95-1
Molecular Formula:
C4H4Cl2
Molecular Weight:
122.9806
IUPAC Name:
(3S,4R)-3,4-dichlorocyclobutene
InChI:
InChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H/t3-,4+
InChI Key:
MNOAQNJDZROAPA-ZXZARUISSA-N
SMILES:
Cl[C@@H]1C=C[C@@H]1Cl
EC Number:
220-981-0
Properties
Complexity:
67.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
121.969g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.976g/mol
Monoisotopic Mass:
121.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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