Home Halogens methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate hydrochloride

methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate hydrochloride

CAS No.:
129034-16-8
Catalog Number:
AG01B9LX
Molecular Formula:
C12H14BrClN2O2
Molecular Weight:
333.6088
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Product Description
Catalog Number:
AG01B9LX
Chemical Name:
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate hydrochloride
CAS Number:
129034-16-8
Molecular Formula:
C12H14BrClN2O2
Molecular Weight:
333.6088
MDL Number:
MFCD28383917
IUPAC Name:
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate;hydrochloride
InChI:
InChI=1S/C12H13BrN2O2.ClH/c1-17-12(16)10(14)4-7-6-15-11-3-2-8(13)5-9(7)11;/h2-3,5-6,10,15H,4,14H2,1H3;1H
InChI Key:
NEJMOBJMJDSWJX-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1c[nH]c2c1cc(Br)cc2)N.Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.993g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
333.61g/mol
Monoisotopic Mass:
331.993g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties