Home Halogens methyl (2S)-2-amino-3-(3-bromothiophen-2-yl)propanoate hydrochloride

methyl (2S)-2-amino-3-(3-bromothiophen-2-yl)propanoate hydrochloride

CAS No.:
1989638-23-4
Catalog Number:
AG01B6DG
Molecular Formula:
C8H11BrClNO2S
Molecular Weight:
300.6004
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Product Description
Catalog Number:
AG01B6DG
Chemical Name:
methyl (2S)-2-amino-3-(3-bromothiophen-2-yl)propanoate hydrochloride
CAS Number:
1989638-23-4
Molecular Formula:
C8H11BrClNO2S
Molecular Weight:
300.6004
MDL Number:
MFCD30342808
IUPAC Name:
methyl 2-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
InChI:
InChI=1S/C8H10BrNO2S.ClH/c1-12-8(11)6(10)4-7-5(9)2-3-13-7;/h2-3,6H,4,10H2,1H3;1H
InChI Key:
OWNGKERYOOBRHW-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1sccc1Br)N.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.938g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.595g/mol
Monoisotopic Mass:
298.938g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties