Home Halogens 2-(4-bromothiophen-2-yl)-2-[(oxolan-2-ylmethyl)amino]acetic acid hydrochloride

2-(4-bromothiophen-2-yl)-2-[(oxolan-2-ylmethyl)amino]acetic acid hydrochloride

CAS No.:
1354949-36-2
Catalog Number:
AG019SXQ
Molecular Formula:
C11H15BrClNO3S
Molecular Weight:
356.6637
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Product Description
Catalog Number:
AG019SXQ
Chemical Name:
2-(4-bromothiophen-2-yl)-2-[(oxolan-2-ylmethyl)amino]acetic acid hydrochloride
CAS Number:
1354949-36-2
Molecular Formula:
C11H15BrClNO3S
Molecular Weight:
356.6637
MDL Number:
MFCD20731161
IUPAC Name:
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetic acid;hydrochloride
InChI:
InChI=1S/C11H14BrNO3S.ClH/c12-7-4-9(17-6-7)10(11(14)15)13-5-8-2-1-3-16-8;/h4,6,8,10,13H,1-3,5H2,(H,14,15);1H
InChI Key:
YMWQTDWBOGCSSR-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1scc(c1)Br)NCC1CCCO1.Cl
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.964g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
356.659g/mol
Monoisotopic Mass:
354.964g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties