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126163-58-4 | Benzonitrile, 4-bromo-2,3-difluoro-
CAS No: 126163-58-4 Catalog No: AG000RX8 MDL No:MFCD09030640
Product Description
Catalog Number:
AG000RX8
Chemical Name:
Benzonitrile, 4-bromo-2,3-difluoro-
CAS Number:
126163-58-4
Molecular Formula:
C7H2BrF2N
Molecular Weight:
217.9983
MDL Number:
MFCD09030640
IUPAC Name:
4-bromo-2,3-difluorobenzonitrile
InChI:
InChI=1S/C7H2BrF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChI Key:
ITPYJIMXMPQSBK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1F)F)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.934g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.001g/mol
Monoisotopic Mass:
216.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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