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879361-72-5 | 5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL
CAS No: 879361-72-5 Catalog No: AG00GUER MDL No:MFCD08262828
Product Description
Catalog Number:
AG00GUER
Chemical Name:
5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL
CAS Number:
879361-72-5
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
MDL Number:
MFCD08262828
IUPAC Name:
N-(benzylcarbamoyl)-2-chloropropanamide
InChI:
InChI=1S/C11H13ClN2O2/c1-8(12)10(15)14-11(16)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14,15,16)
InChI Key:
JDNLQIGJSNXTAW-UHFFFAOYSA-N
SMILES:
CC(C(=O)NC(=O)NCc1ccccc1)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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