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69922-25-4 | 1-Chloro-2-fluoro-3-isocyanatobenzene
CAS No: 69922-25-4 Catalog No: AG003E7I MDL No:MFCD03701597
Product Description
Catalog Number:
AG003E7I
Chemical Name:
1-Chloro-2-fluoro-3-isocyanatobenzene
CAS Number:
69922-25-4
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD03701597
IUPAC Name:
1-chloro-2-fluoro-3-isocyanatobenzene
InChI:
InChI=1S/C7H3ClFNO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChI Key:
SPMPFFGBFMAFOO-UHFFFAOYSA-N
SMILES:
Fc1c(cccc1Cl)N=C=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.555g/mol
Monoisotopic Mass:
170.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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