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74703-17-6 | Benzoyl isocyanate, 3-chloro-
CAS No: 74703-17-6 Catalog No: AG005HYI MDL No:MFCD09817215
Product Description
Catalog Number:
AG005HYI
Chemical Name:
Benzoyl isocyanate, 3-chloro-
CAS Number:
74703-17-6
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD09817215
IUPAC Name:
3-chlorobenzoyl isocyanate
InChI:
InChI=1S/C8H4ClNO2/c9-7-3-1-2-6(4-7)8(12)10-5-11/h1-4H
InChI Key:
GAHTZYDJWBKMEJ-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1cccc(c1)Cl
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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