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1396967-35-3 | 2-{[(2-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
CAS No: 1396967-35-3 Catalog No: AG019UM9 MDL No:MFCD11798839
Product Description
Catalog Number:
AG019UM9
Chemical Name:
2-{[(2-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
CAS Number:
1396967-35-3
Molecular Formula:
C12H17Cl2NO2
Molecular Weight:
278.1749
MDL Number:
MFCD11798839
IUPAC Name:
2-[(2-chlorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
InChI:
InChI=1S/C12H16ClNO2.ClH/c1-8(2)11(12(15)16)14-7-9-5-3-4-6-10(9)13;/h3-6,8,11,14H,7H2,1-2H3,(H,15,16);1H
InChI Key:
RDIWPOHTZMOHPY-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1ccccc1Cl)C.Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.173g/mol
Monoisotopic Mass:
277.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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