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1261472-31-4 | 2-Chloro-3,5-difluorobenzonitrile
CAS No: 1261472-31-4 Catalog No: AG01FECM MDL No:MFCD18415560
Product Description
Catalog Number:
AG01FECM
Chemical Name:
2-Chloro-3,5-difluorobenzonitrile
CAS Number:
1261472-31-4
Molecular Formula:
C7H2ClF2N
Molecular Weight:
173.5473
MDL Number:
MFCD18415560
IUPAC Name:
2-chloro-3,5-difluorobenzonitrile
InChI:
InChI=1S/C7H2ClF2N/c8-7-4(3-11)1-5(9)2-6(7)10/h1-2H
InChI Key:
RTWUBSCJNAEEQP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1Cl)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.547g/mol
Monoisotopic Mass:
172.984g/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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