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136704-03-5 | 2-Pyrrolidinemethanol, 1-[(4-chlorophenyl)methyl]-
CAS No: 136704-03-5 Catalog No: AG00128F MDL No:
Product Description
Catalog Number:
AG00128F
Chemical Name:
2-Pyrrolidinemethanol, 1-[(4-chlorophenyl)methyl]-
CAS Number:
136704-03-5
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(14)9-15/h3-6,12,15H,1-2,7-9H2
InChI Key:
FPVOWHGMYGCDHV-UHFFFAOYSA-N
SMILES:
OCC1CCCN1Cc1ccc(cc1)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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