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100402-24-2 | Valine, N-(2-chloro-4-methylvaleryl)- (6CI)
CAS No: 100402-24-2 Catalog No: AG0001XF MDL No:
Product Description
Catalog Number:
AG0001XF
Chemical Name:
Valine, N-(2-chloro-4-methylvaleryl)- (6CI)
CAS Number:
100402-24-2
Molecular Formula:
C11H20ClNO3
Molecular Weight:
249.7344
IUPAC Name:
2-[(2-chloro-4-methylpentanoyl)amino]-3-methylbutanoic acid
InChI:
InChI=1S/C11H20ClNO3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5H2,1-4H3,(H,13,14)(H,15,16)
InChI Key:
YZDMAIQOPUMQAS-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)N[C@H](C(=O)O)C(C)C)Cl)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.113g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.735g/mol
Monoisotopic Mass:
249.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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