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1245643-24-6 | Carbamic acid, N-[(1S)-2-chloro-1-methylethyl]-, phenylmethyl ester
CAS No: 1245643-24-6 Catalog No: AG000M8D MDL No:MFCD17677267
Product Description
Catalog Number:
AG000M8D
Chemical Name:
Carbamic acid, N-[(1S)-2-chloro-1-methylethyl]-, phenylmethyl ester
CAS Number:
1245643-24-6
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD17677267
IUPAC Name:
benzyl N-[(2S)-1-chloropropan-2-yl]carbamate
InChI:
InChI=1S/C11H14ClNO2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m0/s1
InChI Key:
FYXUQSKCPRXENP-VIFPVBQESA-N
SMILES:
ClC[C@@H](NC(=O)OCc1ccccc1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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