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289491-96-9 | Benzoic acid, 2-amino-3,5-diiodo-, methyl ester
CAS No: 289491-96-9 Catalog No: AG002X6F MDL No:MFCD00673020
Product Description
Catalog Number:
AG002X6F
Chemical Name:
Benzoic acid, 2-amino-3,5-diiodo-, methyl ester
CAS Number:
289491-96-9
Molecular Formula:
C8H7I2NO2
Molecular Weight:
402.9556
MDL Number:
MFCD00673020
IUPAC Name:
methyl 2-amino-3,5-diiodobenzoate
InChI:
InChI=1S/C8H7I2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
InChI Key:
YGZBJXBPLSTHMS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)cc(c1N)I
EC Number:
608-295-3
NSC Number:
155954
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.857g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.958g/mol
Monoisotopic Mass:
402.857g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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