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302912-26-1 | Benzene, 5-bromo-1,3-difluoro-2-isocyanato-
CAS No: 302912-26-1 Catalog No: AG002ZIE MDL No:
Product Description
Catalog Number:
AG002ZIE
Chemical Name:
Benzene, 5-bromo-1,3-difluoro-2-isocyanato-
CAS Number:
302912-26-1
Molecular Formula:
C7H2BrF2NO
Molecular Weight:
233.9977
IUPAC Name:
5-bromo-1,3-difluoro-2-isocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
LSGXEWZVHIBWPQ-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(F)cc(cc1F)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234g/mol
Monoisotopic Mass:
232.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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