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190774-47-1 | Benzene, 4-bromo-2-chloro-1-isocyanato-
CAS No: 190774-47-1 Catalog No: AG002ESL MDL No:MFCD00673048
Product Description
Catalog Number:
AG002ESL
Chemical Name:
Benzene, 4-bromo-2-chloro-1-isocyanato-
CAS Number:
190774-47-1
Molecular Formula:
C7H3BrClNO
Molecular Weight:
232.4618
MDL Number:
MFCD00673048
IUPAC Name:
4-bromo-2-chloro-1-isocyanatobenzene
InChI:
InChI=1S/C7H3BrClNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
QWWBEOZNMPWYQR-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1Cl)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.909g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.461g/mol
Monoisotopic Mass:
230.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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