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115706-18-8 | Benzene, 1,2-dichloro-4-(2-isocyanatoethyl)-
CAS No: 115706-18-8 Catalog No: AG000GRT MDL No:MFCD03701578
Product Description
Catalog Number:
AG000GRT
Chemical Name:
Benzene, 1,2-dichloro-4-(2-isocyanatoethyl)-
CAS Number:
115706-18-8
Molecular Formula:
C9H7Cl2NO
Molecular Weight:
216.0640
MDL Number:
MFCD03701578
IUPAC Name:
1,2-dichloro-4-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C9H7Cl2NO/c10-8-2-1-7(5-9(8)11)3-4-12-6-13/h1-2,5H,3-4H2
InChI Key:
NWTVTCGHLQMSOQ-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.061g/mol
Monoisotopic Mass:
214.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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