Home Halogens Ethyl 3-bromo-4-iodobenzoate

Ethyl 3-bromo-4-iodobenzoate

CAS No.:
386267-31-8
Catalog Number:
AG00CHQ4
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
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Product Description
Catalog Number:
AG00CHQ4
Chemical Name:
Ethyl 3-bromo-4-iodobenzoate
CAS Number:
386267-31-8
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
MDL Number:
MFCD11520423
IUPAC Name:
ethyl 3-bromo-4-iodobenzoate
InChI:
InChI=1S/C9H8BrIO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI Key:
LNDNOULYVIEUBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)I
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.875g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.969g/mol
Monoisotopic Mass:
353.875g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties