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1240113-63-6 | Benzoic acid, 4-amino-3-chloro-5-iodo-, methyl ester
CAS No: 1240113-63-6 Catalog No: AG000LEB MDL No:
Product Description
Catalog Number:
AG000LEB
Chemical Name:
Benzoic acid, 4-amino-3-chloro-5-iodo-, methyl ester
CAS Number:
1240113-63-6
Molecular Formula:
C8H7ClINO2
Molecular Weight:
311.5041
IUPAC Name:
methyl 4-amino-3-chloro-5-iodobenzoate
InChI:
InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:
PEFBWQDDTIIVER-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)I)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.921g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.503g/mol
Monoisotopic Mass:
310.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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