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1255936-24-3 | S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
CAS No: 1255936-24-3 Catalog No: AG009Y8W MDL No:
Product Description
Catalog Number:
AG009Y8W
Chemical Name:
S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
CAS Number:
1255936-24-3
Molecular Formula:
C13H14BrN3
Molecular Weight:
292.1744
IUPAC Name:
5-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
InChI:
InChI=1S/C13H14BrN3/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2,(H,16,17)/t11-/m0/s1
InChI Key:
JZZIKMCTVRNYTF-NSHDSACASA-N
SMILES:
Brc1ccc(cc1)c1c[nH]c(n1)[C@@H]1CCCN1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.18g/mol
Monoisotopic Mass:
291.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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