Home Halogens 2-chloro-1-iodo-4-isocyanatobenzene

2-chloro-1-iodo-4-isocyanatobenzene

CAS No.:
1261790-72-0
Catalog Number:
AG01B388
Molecular Formula:
C7H3ClINO
Molecular Weight:
279.4623
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Product Description
Catalog Number:
AG01B388
Chemical Name:
2-chloro-1-iodo-4-isocyanatobenzene
CAS Number:
1261790-72-0
Molecular Formula:
C7H3ClINO
Molecular Weight:
279.4623
MDL Number:
MFCD18393471
IUPAC Name:
2-chloro-1-iodo-4-isocyanatobenzene
InChI:
InChI=1S/C7H3ClINO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
InChI Key:
OOGMUJMQNGSUQJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)Cl)I
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.895g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.461g/mol
Monoisotopic Mass:
278.895g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties