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Home > Bromides > 1252046-13-1
1252046-13-1 | Benzonitrile, 2-bromo-5-iodo-
CAS No: 1252046-13-1 Catalog No: AG000NBR MDL No:MFCD09025663
Product Description
Catalog Number:
AG000NBR
Chemical Name:
Benzonitrile, 2-bromo-5-iodo-
CAS Number:
1252046-13-1
Molecular Formula:
C7H3BrIN
Molecular Weight:
307.9139
MDL Number:
MFCD09025663
IUPAC Name:
2-bromo-5-iodobenzonitrile
InChI:
InChI=1S/C7H3BrIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI Key:
KXTNUMXYGMBTSV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.916g/mol
Monoisotopic Mass:
306.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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