Cyclopentane,1-bromo-2-isocyanato-, cis- (9CI)

1. Names and Identifiers

1.2 Synonyms: (1r,2s)-1-bromo-2-isocyanatocyclopentane; cyclopentane,1-bromo-2-isocyanato-,cis-; Isocyanicacid, 2-bromocyclopentyl ester, cis- (8CI);

2. Computed Properties

Molecular Weight：190.04g/mol
Molecular Formula：C₆H₈BrNO
Compound Is Canonicalized：True
Exact Mass：2.7
XLogP3-AA：188.97893
Monoisotopic Mass：188.97893
Complexity：142
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：29.4
Heavy Atom Count：：9
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBiIAAAEAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAHgBAAAAByCjBAAQAAAIAAAAoAAAAFAAAAAAAAAAAAAAAACAAAAIAgAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAA==

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4. Realated Product Infomation

1. Names and Identifiers