Home Halogens methyl 2-{[(2-bromophenyl)methyl]amino}-2-methylpropanoate hydrochloride

methyl 2-{[(2-bromophenyl)methyl]amino}-2-methylpropanoate hydrochloride

CAS No.:
1803586-97-1
Catalog Number:
AG01B9BP
Molecular Formula:
C12H17BrClNO2
Molecular Weight:
322.6259
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Product Description
Catalog Number:
AG01B9BP
Chemical Name:
methyl 2-{[(2-bromophenyl)methyl]amino}-2-methylpropanoate hydrochloride
CAS Number:
1803586-97-1
Molecular Formula:
C12H17BrClNO2
Molecular Weight:
322.6259
MDL Number:
MFCD28348315
IUPAC Name:
methyl 2-[(2-bromophenyl)methylamino]-2-methylpropanoate;hydrochloride
InChI:
InChI=1S/C12H16BrNO2.ClH/c1-12(2,11(15)16-3)14-8-9-6-4-5-7-10(9)13;/h4-7,14H,8H2,1-3H3;1H
InChI Key:
TXCHYUQOJLWUHM-UHFFFAOYSA-N
SMILES:
COC(=O)C(NCc1ccccc1Br)(C)C.Cl
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.013g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.627g/mol
Monoisotopic Mass:
321.013g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties