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5180-79-0 | 3-ISOCYANATOBENZOYL CHLORIDE
CAS No: 5180-79-0 Catalog No: AG003JM1 MDL No:
Product Description
Catalog Number:
AG003JM1
Chemical Name:
3-ISOCYANATOBENZOYL CHLORIDE
CAS Number:
5180-79-0
IUPAC Name:
3-isocyanatobenzoyl chloride
InChI:
InChI=1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H
InChI Key:
WBLVOWAHPPPNLF-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.993g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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