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1137014-87-9

1137014-87-9 | Benzeneacetic acid, α-amino-3,5-dichloro-, hydrochloride (1:1)

CAS No: 1137014-87-9 Catalog No: AG0009DF MDL No:MFCD06202321

Product Description

Catalog Number:
AG0009DF
Chemical Name:
Benzeneacetic acid, α-amino-3,5-dichloro-, hydrochloride (1:1)
CAS Number:
1137014-87-9
Molecular Formula:
C8H8Cl3NO2
Molecular Weight:
256.5136
MDL Number:
MFCD06202321
IUPAC Name:
2-amino-2-(3,5-dichlorophenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C8H7Cl2NO2.ClH/c9-5-1-4(2-6(10)3-5)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChI Key:
CPQMVIKDRJMUKS-UHFFFAOYSA-N
SMILES:
NC(c1cc(Cl)cc(c1)Cl)C(=O)O.Cl

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.962g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
256.507g/mol
Monoisotopic Mass:
254.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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