Home Halogens methyl 4-amino-3-bromo-5-iodobenzoate

methyl 4-amino-3-bromo-5-iodobenzoate

CAS No.:
1240113-86-3
Catalog Number:
AG01AC3N
Molecular Formula:
C8H7BrINO2
Molecular Weight:
355.9552
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Product Description
Catalog Number:
AG01AC3N
Chemical Name:
methyl 4-amino-3-bromo-5-iodobenzoate
CAS Number:
1240113-86-3
Molecular Formula:
C8H7BrINO2
Molecular Weight:
355.9552
MDL Number:
MFCD23378830
IUPAC Name:
methyl 4-amino-3-bromo-5-iodobenzoate
InChI:
InChI=1S/C8H7BrINO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:
VQDXJUCZOAEOKV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)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:
354.87g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
355.957g/mol
Monoisotopic Mass:
354.87g/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  
Properties