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Home Halogens methyl (3S)-3-amino-3-(2-chloropyridin-4-yl)propanoate hydrochloride

methyl (3S)-3-amino-3-(2-chloropyridin-4-yl)propanoate hydrochloride

CAS No.:
2059909-32-7
Catalog Number:
AG01BR4S
Molecular Formula:
C9H12Cl2N2O2
Molecular Weight:
251.1098
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Product Description
Catalog Number:
AG01BR4S
Chemical Name:
methyl (3S)-3-amino-3-(2-chloropyridin-4-yl)propanoate hydrochloride
CAS Number:
2059909-32-7
Molecular Formula:
C9H12Cl2N2O2
Molecular Weight:
251.1098
MDL Number:
MFCD30502228
IUPAC Name:
methyl 3-amino-3-(2-chloropyridin-4-yl)propanoate;hydrochloride
InChI:
InChI=1S/C9H11ClN2O2.ClH/c1-14-9(13)5-7(11)6-2-3-12-8(10)4-6;/h2-4,7H,5,11H2,1H3;1H
InChI Key:
IUMLCQCXWGGTDN-UHFFFAOYSA-N
SMILES:
COC(=O)C[C@@H](c1ccnc(c1)Cl)N.Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.107g/mol
Monoisotopic Mass:
250.028g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties