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129176-04-1 | Oxirane, 2-(bromomethyl)-3-chloro-, cis- (9CI)
CAS No: 129176-04-1 Catalog No: AG000YXO MDL No:
Product Description
Catalog Number:
AG000YXO
Chemical Name:
Oxirane, 2-(bromomethyl)-3-chloro-, cis- (9CI)
CAS Number:
129176-04-1
Molecular Formula:
C3H4BrClO
Molecular Weight:
171.4203
IUPAC Name:
(2S,3S)-2-(bromomethyl)-3-chlorooxirane
InChI:
InChI=1S/C3H4BrClO/c4-1-2-3(5)6-2/h2-3H,1H2/t2-,3-/m1/s1
InChI Key:
CYVGBDSVULTHJK-PWNYCUMCSA-N
SMILES:
Cl[C@H]1O[C@H]1CBr
Properties
Complexity:
58.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.913g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.418g/mol
Monoisotopic Mass:
169.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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