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17585-66-9 | L-Isoleucine, hydrobromide (9CI)
CAS No: 17585-66-9 Catalog No: AG002195 MDL No:
Product Description
Catalog Number:
AG002195
Chemical Name:
L-Isoleucine, hydrobromide (9CI)
CAS Number:
17585-66-9
Molecular Formula:
C6H14BrNO2
Molecular Weight:
212.0849
IUPAC Name:
(2S,3S)-2-amino-3-methylpentanoic acid;hydrobromide
InChI:
InChI=1S/C6H13NO2.BrH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t4-,5-;/m0./s1
InChI Key:
NIFONOGDCRJLMU-FHAQVOQBSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)N)C.Br
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.087g/mol
Monoisotopic Mass:
211.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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