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137266-85-4 | 3-Azetidinecarboxylic acid, 3-(chloromethyl)-1-(phenylmethyl)-, ethyl ester
CAS No: 137266-85-4 Catalog No: AG00131B MDL No:
Product Description
Catalog Number:
AG00131B
Chemical Name:
3-Azetidinecarboxylic acid, 3-(chloromethyl)-1-(phenylmethyl)-, ethyl ester
CAS Number:
137266-85-4
Molecular Formula:
C14H18ClNO2
Molecular Weight:
267.7512
IUPAC Name:
ethyl 1-benzyl-3-(chloromethyl)azetidine-3-carboxylate
InChI:
InChI=1S/C14H18ClNO2/c1-2-18-13(17)14(9-15)10-16(11-14)8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key:
HOHVYELQJJOFTN-UHFFFAOYSA-N
SMILES:
ClCC1(CN(C1)Cc1ccccc1)C(=O)OCC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.753g/mol
Monoisotopic Mass:
267.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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