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1137447-08-5 | Benzeneacetic acid, α-amino-3,5-dichloro-, methyl ester, hydrochloride (1:1)
CAS No: 1137447-08-5 Catalog No: AG0009J8 MDL No:MFCD04115513
Product Description
Catalog Number:
AG0009J8
Chemical Name:
Benzeneacetic acid, α-amino-3,5-dichloro-, methyl ester, hydrochloride (1:1)
CAS Number:
1137447-08-5
Molecular Formula:
C9H10Cl3NO2
Molecular Weight:
270.5402
MDL Number:
MFCD04115513
IUPAC Name:
methyl 2-amino-2-(3,5-dichlorophenyl)acetate;hydrochloride
InChI:
InChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5;/h2-4,8H,12H2,1H3;1H
InChI Key:
UJRQDKOSKJDWMN-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cc(Cl)cc(c1)Cl)N.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.978g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.534g/mol
Monoisotopic Mass:
268.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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