Home Halogens methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride

methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride

CAS No.:
1803585-90-1
Catalog Number:
AG01BD7F
Molecular Formula:
C11H15BrClNO2
Molecular Weight:
308.5993
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Product Description
Catalog Number:
AG01BD7F
Chemical Name:
methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride
CAS Number:
1803585-90-1
Molecular Formula:
C11H15BrClNO2
Molecular Weight:
308.5993
MDL Number:
MFCD28012421
IUPAC Name:
methyl 3-[(3-bromophenyl)methylamino]propanoate;hydrochloride
InChI:
InChI=1S/C11H14BrNO2.ClH/c1-15-11(14)5-6-13-8-9-3-2-4-10(12)7-9;/h2-4,7,13H,5-6,8H2,1H3;1H
InChI Key:
PYMCZFBWECENHC-UHFFFAOYSA-N
SMILES:
COC(=O)CCNCc1cccc(c1)Br.Cl
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.6g/mol
Monoisotopic Mass:
306.997g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties