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Home > Bromides > 1245651-19-7
1245651-19-7 | Benzonitrile, 4-(bromomethyl)-2,5-difluoro-
CAS No: 1245651-19-7 Catalog No: AG000MDZ MDL No:MFCD11847067
Product Description
Catalog Number:
AG000MDZ
Chemical Name:
Benzonitrile, 4-(bromomethyl)-2,5-difluoro-
CAS Number:
1245651-19-7
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
MDL Number:
MFCD11847067
IUPAC Name:
4-(bromomethyl)-2,5-difluorobenzonitrile
InChI:
InChI=1S/C8H4BrF2N/c9-3-5-1-8(11)6(4-12)2-7(5)10/h1-2H,3H2
InChI Key:
ZYBADXNEYMARJT-UHFFFAOYSA-N
SMILES:
BrCc1cc(F)c(cc1F)C#N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.028g/mol
Monoisotopic Mass:
230.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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