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1820619-32-6 | 3-Amino-4,5-dichlorobenzoic acid hydrochloride
CAS No: 1820619-32-6 Catalog No: AG01FMDT MDL No:MFCD29037850
Product Description
Catalog Number:
AG01FMDT
Chemical Name:
3-Amino-4,5-dichlorobenzoic acid hydrochloride
CAS Number:
1820619-32-6
Molecular Formula:
C7H6Cl3NO2
Molecular Weight:
242.4870
MDL Number:
MFCD29037850
IUPAC Name:
3-amino-4,5-dichlorobenzoic acid;hydrochloride
InChI:
InChI=1S/C7H5Cl2NO2.ClH/c8-4-1-3(7(11)12)2-5(10)6(4)9;/h1-2H,10H2,(H,11,12);1H
InChI Key:
XUJUITLWEZGNNO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(c(c1)Cl)Cl.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.48g/mol
Monoisotopic Mass:
240.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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