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123688-59-5 | Benzonitrile, 4-bromo-3,5-difluoro-
CAS No: 123688-59-5 Catalog No: AG000KYL MDL No:MFCD11845964
Product Description
Catalog Number:
AG000KYL
Chemical Name:
Benzonitrile, 4-bromo-3,5-difluoro-
CAS Number:
123688-59-5
Molecular Formula:
C7H2BrF2N
Molecular Weight:
217.9983
MDL Number:
MFCD11845964
IUPAC Name:
4-bromo-3,5-difluorobenzonitrile
InChI:
InChI=1S/C7H2BrF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H
InChI Key:
LRMUGJVHRUVMHP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)F)Br
Properties
Complexity:
176
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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