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1142400-61-0 | 1-Pyrrolidinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS No: 1142400-61-0 Catalog No: AG000AWC MDL No:
Product Description
Catalog Number:
AG000AWC
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1142400-61-0
Molecular Formula:
C10H18ClNO2
Molecular Weight:
219.7084
IUPAC Name:
tert-butyl 2-(chloromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3
InChI Key:
KTDOGEILJSFSSG-UHFFFAOYSA-N
SMILES:
ClCC1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.709g/mol
Monoisotopic Mass:
219.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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