Home Halogens methyl 2-amino-3-(4-bromo-1H-indol-3-yl)propanoate hydrochloride

methyl 2-amino-3-(4-bromo-1H-indol-3-yl)propanoate hydrochloride

CAS No.:
1423024-60-5
Catalog Number:
AG01A304
Molecular Formula:
C12H14BrClN2O2
Molecular Weight:
333.6088
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Product Description
Catalog Number:
AG01A304
Chemical Name:
methyl 2-amino-3-(4-bromo-1H-indol-3-yl)propanoate hydrochloride
CAS Number:
1423024-60-5
Molecular Formula:
C12H14BrClN2O2
Molecular Weight:
333.6088
MDL Number:
MFCD22628440
IUPAC Name:
methyl 2-amino-3-(4-bromo-1H-indol-3-yl)propanoate;hydrochloride
InChI:
InChI=1S/C12H13BrN2O2.ClH/c1-17-12(16)9(14)5-7-6-15-10-4-2-3-8(13)11(7)10;/h2-4,6,9,15H,5,14H2,1H3;1H
InChI Key:
NQGHSJLHYRUBGS-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1c[nH]c2c1c(Br)ccc2)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