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34893-92-0,MFCD00013859
Catalog No.:AA003IJ5
34893-92-0 | 3,5-Dichlorophenylisocyantae
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1g
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$133.00   $93.00
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5g
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$173.00   $121.00
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25g
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$382.00   $268.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IJ5
Chemical Name:
3,5-Dichlorophenylisocyantae
CAS Number:
34893-92-0
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
MDL Number:
MFCD00013859
IUPAC Name:
1,3-dichloro-5-isocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI Key:
XEFUJGURFLOFAN-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(Cl)cc(c1)Cl
EC Number:
252-276-9
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
3,5-Dichlorophenyl isocyanate 
34893-92-0 
MFCD00013859 
3,5-dichlorobenzenisocyanate 
EINECS 252-276-9 
AC1Q3HZQ 
AC1Q3LIC 
EC 252-276-9 
AC1L3S9L 
3,5dichlorophenyl isocyanate 
ACMC-1AI47 
SCHEMBL93410 
1,3-Dichloro-5-isocyanatobenzene 
KSC490C1L 
3,5-dichloro-phenylisocyanate 
3,5-dichlorophenyl-isocyanate 
3, 5-dichlorophenyl isocyanate 
3,5-dichloro-phenyl isocyanate 
Jsp006309 
DTXSID2067878 
CTK3J0115 
ZINC164665 
1,3-dichloro-5-iso-cyanatobenzene 
3,5-Dichlorophenylisocyanate 
ACT02983 
ALBB-021387 
1,3-Dichloro-5-isocyanatobenzene # 
ANW-28007 
GEO-01007 
I5D151 
SBB064238 
AKOS000173292 
MCULE-2261883512 
NE10743 
Benzene, 1,3-dichloro-5-isocyanato- 
RTR-014415 
VZ25742 
KS-0000107U 
TRA-0184333 
Isocyanic Acid 3,5-Dichlorophenyl Ester 
CJ-02201 
R843 
SC-16580 
ZB008251 
DB-022042 
3,5-Dichlorophenyl isocyantae 
TR-014415 
A6129 
FT-0614565 
I0302 
ST50825279 
I01-4421 
W-106701 
C7H3Cl2NO 
C7-H3-Cl2-N-O 
KST-1B3558 
3,5-Dichlorophenylisocyantae 
CID94460 
AR-1B6869 
ZINC00164665 
3,5-Dichlorophenyl isocyanate, 97% 5g 
3,5-Dichlorophenyl isocyanate, 96% - 1G 1g 
35967-02-3 
XEFUJGURFLOFAN-UHFFFAOYSA-N 
1,3-Dichloro-5-isocyanato-benzene 
3,5-Dichlorophenyl isocyanate, 96% 
Literature

Title: (R)-2,2'-Bis[N'-(3,5-dichloro-phen-yl)ureido]-1,1'-binaphthalene chloro-form disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

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