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102767-31-7 | Butanamide, N-[(1S)-1-(aminocarbonyl)propyl]-4-chloro-
CAS No: 102767-31-7 Catalog No: AG0008BQ MDL No:
Product Description
Catalog Number:
AG0008BQ
Chemical Name:
Butanamide, N-[(1S)-1-(aminocarbonyl)propyl]-4-chloro-
CAS Number:
102767-31-7
Molecular Formula:
C8H15ClN2O2
Molecular Weight:
206.6699
IUPAC Name:
(2S)-2-(4-chlorobutanoylamino)butanamide
InChI:
InChI=1S/C8H15ClN2O2/c1-2-6(8(10)13)11-7(12)4-3-5-9/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChI Key:
QBJNYRYTZPBHFT-LURJTMIESA-N
SMILES:
ClCCCC(=O)N[C@H](C(=O)N)CC
UNII:
3P8M8S76NM
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.67g/mol
Monoisotopic Mass:
206.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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