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168253-01-8 | 1-Pyrrolidinecarbonyl chloride, 2,5-dimethyl-, (2R,5R)-
CAS No: 168253-01-8 Catalog No: AG001XXN MDL No:MFCD13173678
Product Description
Catalog Number:
AG001XXN
Chemical Name:
1-Pyrrolidinecarbonyl chloride, 2,5-dimethyl-, (2R,5R)-
CAS Number:
168253-01-8
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
MDL Number:
MFCD13173678
IUPAC Name:
(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl chloride
InChI:
InChI=1S/C7H12ClNO/c1-5-3-4-6(2)9(5)7(8)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChI Key:
UWSQEHVMGKICDS-PHDIDXHHSA-N
SMILES:
C[C@@H]1CC[C@H](N1C(=O)Cl)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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