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89877-34-9 | Benzene, (1-iodo-2-isocyanato-1-methylethyl)-
CAS No: 89877-34-9 Catalog No: AG00H8M1 MDL No:
Product Description
Catalog Number:
AG00H8M1
Chemical Name:
Benzene, (1-iodo-2-isocyanato-1-methylethyl)-
CAS Number:
89877-34-9
Molecular Formula:
C10H10INO
Molecular Weight:
287.0970
IUPAC Name:
(2-iodo-1-isocyanatopropan-2-yl)benzene
InChI:
InChI=1S/C10H10INO/c1-10(11,7-12-8-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
OZHKFETWLHZPBZ-UHFFFAOYSA-N
SMILES:
O=C=NCC(c1ccccc1)(I)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.1g/mol
Monoisotopic Mass:
286.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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