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163805-06-9 | Pyrazolidine, 4-bromo-
CAS No: 163805-06-9 Catalog No: AG001UEH MDL No:
Product Description
Catalog Number:
AG001UEH
Chemical Name:
Pyrazolidine, 4-bromo-
CAS Number:
163805-06-9
Molecular Formula:
C3H7BrN2
Molecular Weight:
151.0051
IUPAC Name:
4-bromopyrazolidine
InChI:
InChI=1S/C3H7BrN2/c4-3-1-5-6-2-3/h3,5-6H,1-2H2
InChI Key:
BKGFWELRNHKFRN-UHFFFAOYSA-N
SMILES:
BrC1CNNC1
Properties
Complexity:
42.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.979g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.007g/mol
Monoisotopic Mass:
149.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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