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113913-55-6 | Piperidine, 4-(2-bromoethyl)-
CAS No: 113913-55-6 Catalog No: AG000A1F MDL No:
Product Description
Catalog Number:
AG000A1F
Chemical Name:
Piperidine, 4-(2-bromoethyl)-
CAS Number:
113913-55-6
Molecular Formula:
C7H14BrN
Molecular Weight:
192.0968
IUPAC Name:
4-(2-bromoethyl)piperidine
InChI:
InChI=1S/C7H14BrN/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-6H2
InChI Key:
MATRGCMIAKCCIJ-UHFFFAOYSA-N
SMILES:
BrCCC1CCNCC1
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.1g/mol
Monoisotopic Mass:
191.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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