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Vegiben 2E

CAS No.:
7286-84-2
Catalog Number:
AG00FA5J
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
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Product Description
Catalog Number:
AG00FA5J
Chemical Name:
Vegiben 2E
CAS Number:
7286-84-2
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD00128019
IUPAC Name:
methyl 3-amino-2,5-dichlorobenzoate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
InChI Key:
DTSSCQVCVYZGSI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1Cl)N
UNII:
PR0142CJCU
NSC Number:
190368
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  
Properties