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1591-96-4 | Naphthalene, 1-bromo-4-isocyanato-
CAS No: 1591-96-4 Catalog No: AG001QHA MDL No:MFCD04974073
Product Description
Catalog Number:
AG001QHA
Chemical Name:
Naphthalene, 1-bromo-4-isocyanato-
CAS Number:
1591-96-4
Molecular Formula:
C11H6BrNO
Molecular Weight:
248.0754
MDL Number:
MFCD04974073
IUPAC Name:
1-bromo-4-isocyanatonaphthalene
InChI:
InChI=1S/C11H6BrNO/c12-10-5-6-11(13-7-14)9-4-2-1-3-8(9)10/h1-6H
InChI Key:
VWVGFGCFRGMOLK-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c2c1cccc2)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.963g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.079g/mol
Monoisotopic Mass:
246.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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