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1416351-90-0 | Pyrrolidine, 3,4-bis(chloromethyl)-1-(phenylmethyl)-
CAS No: 1416351-90-0 Catalog No: AG001GQH MDL No:
Product Description
Catalog Number:
AG001GQH
Chemical Name:
Pyrrolidine, 3,4-bis(chloromethyl)-1-(phenylmethyl)-
CAS Number:
1416351-90-0
Molecular Formula:
C13H17Cl2N
Molecular Weight:
258.1868
IUPAC Name:
1-benzyl-3,4-bis(chloromethyl)pyrrolidine
InChI:
InChI=1S/C13H17Cl2N/c14-6-12-9-16(10-13(12)7-15)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
KHKYBJCQIVAHGL-UHFFFAOYSA-N
SMILES:
ClCC1CN(CC1CCl)Cc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.186g/mol
Monoisotopic Mass:
257.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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