200,000+ products from a single source!
sales@angenechem.com
127953-90-6 | 1-Piperazinecarboxylic acid, 4-(chlorosulfonyl)-, phenylmethyl ester
CAS No: 127953-90-6 Catalog No: AG000XL4 MDL No:
Product Description
Catalog Number:
AG000XL4
Chemical Name:
1-Piperazinecarboxylic acid, 4-(chlorosulfonyl)-, phenylmethyl ester
CAS Number:
127953-90-6
Molecular Formula:
C12H15ClN2O4S
Molecular Weight:
318.7765
IUPAC Name:
benzyl 4-chlorosulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H15ClN2O4S/c13-20(17,18)15-8-6-14(7-9-15)12(16)19-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
ZKMQSURTRGMDBM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)Cl)OCc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.772g/mol
Monoisotopic Mass:
318.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.