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100568-14-7 | Pyrazolidine, 1,2-bis(bromoacetyl)- (9CI)
CAS No: 100568-14-7 Catalog No: AG0002DB MDL No:
Product Description
Catalog Number:
AG0002DB
Chemical Name:
Pyrazolidine, 1,2-bis(bromoacetyl)- (9CI)
CAS Number:
100568-14-7
Molecular Formula:
C7H10Br2N2O2
Molecular Weight:
313.9745
IUPAC Name:
2-bromo-1-[2-(2-bromoacetyl)pyrazolidin-1-yl]ethanone
InChI:
InChI=1S/C7H10Br2N2O2/c8-4-6(12)10-2-1-3-11(10)7(13)5-9/h1-5H2
InChI Key:
GBGVYROLHRWVAA-UHFFFAOYSA-N
SMILES:
BrCC(=O)N1CCCN1C(=O)CBr
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.909g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.977g/mol
Monoisotopic Mass:
311.911g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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