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1250663-38-7 | Benzoic acid, 3-amino-4,5-dichloro-, methyl ester
CAS No: 1250663-38-7 Catalog No: AG000N2S MDL No:MFCD14694721
Product Description
Catalog Number:
AG000N2S
Chemical Name:
Benzoic acid, 3-amino-4,5-dichloro-, methyl ester
CAS Number:
1250663-38-7
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD14694721
IUPAC Name:
methyl 3-amino-4,5-dichlorobenzoate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,11H2,1H3
InChI Key:
VAEQHZXRVKQYBW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(c(c1)Cl)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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