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Home > Bromides > 1823904-45-5
1823904-45-5 | Isoquinoline, 1-bromo-4-iodo-
CAS No: 1823904-45-5 Catalog No: AG0023SG MDL No:MFCD27922897
Product Description
Catalog Number:
AG0023SG
Chemical Name:
Isoquinoline, 1-bromo-4-iodo-
CAS Number:
1823904-45-5
Molecular Formula:
C9H5BrIN
Molecular Weight:
333.9512
MDL Number:
MFCD27922897
IUPAC Name:
1-bromo-4-iodoisoquinoline
InChI:
InChI=1S/C9H5BrIN/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H
InChI Key:
CJNVZIQFIAKORR-UHFFFAOYSA-N
SMILES:
Brc1ncc(c2c1cccc2)I
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.865g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.954g/mol
Monoisotopic Mass:
332.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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