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865086-30-2 | Carbamic acid, [(1R)-1-(4-chlorophenyl)-3-oxobutyl]-, methyl ester
CAS No: 865086-30-2 Catalog No: AG004Q4Y MDL No:
Product Description
Catalog Number:
AG004Q4Y
Chemical Name:
Carbamic acid, [(1R)-1-(4-chlorophenyl)-3-oxobutyl]-, methyl ester
CAS Number:
865086-30-2
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
methyl N-[(1R)-1-(4-chlorophenyl)-3-oxobutyl]carbamate
InChI:
InChI=1S/C12H14ClNO3/c1-8(15)7-11(14-12(16)17-2)9-3-5-10(13)6-4-9/h3-6,11H,7H2,1-2H3,(H,14,16)/t11-/m1/s1
InChI Key:
DEEKWPYEUGAKSM-LLVKDONJSA-N
SMILES:
COC(=O)N[C@@H](c1ccc(cc1)Cl)CC(=O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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