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80819-91-6 | 1-(2-Bromoethyl)pyrrolidine hydrobromide
CAS No: 80819-91-6 Catalog No: AG005IP4 MDL No:MFCD09991600
Product Description
Catalog Number:
AG005IP4
Chemical Name:
1-(2-Bromoethyl)pyrrolidine hydrobromide
CAS Number:
80819-91-6
Molecular Formula:
C6H13Br2N
Molecular Weight:
258.9821
MDL Number:
MFCD09991600
IUPAC Name:
1-(2-bromoethyl)pyrrolidine;hydrobromide
InChI:
InChI=1S/C6H12BrN.BrH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
InChI Key:
ZJVSYQSFBOFWIU-UHFFFAOYSA-N
SMILES:
BrCCN1CCCC1.Br
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.939g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.985g/mol
Monoisotopic Mass:
256.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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