Home Other Building Blocks 100275-94-3
100275-94-3,MFCD02677705
Catalog No.:AA0001CS
100275-94-3 | 1,4-Benzodioxin, 2,3-dihydro-6-isocyanato-
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1g
95.0%
3 weeks  
$170.00
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Technical Information
Catalog Number:
AA0001CS
Chemical Name:
1,4-Benzodioxin, 2,3-dihydro-6-isocyanato-
CAS Number:
100275-94-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD02677705
IUPAC Name:
6-isocyanato-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C9H7NO3/c11-6-10-7-1-2-8-9(5-7)13-4-3-12-8/h1-2,5H,3-4H2
InChI Key:
OGVYMEFCSKVNQH-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(c1)OCCO2
Properties
Computed Properties
 
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
100275-94-3 
6-isocyanato-2,3-dihydro-1,4-benzodioxine 
6-isocyanato-1,4-benzodioxan 
3,4-ethylenedioxyphenylisocyanate 
CTK3J8724 
DTXSID20379866 
OGVYMEFCSKVNQH-UHFFFAOYSA-N 
ALBB-003046 
ZINC4277235 
BBL037664 
MFCD02677705 
STK502566 
2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate 
AKOS000265756 
6-Isocyanato-1,4-benzodioxane, 97% 
MCULE-7504160930 
RP03032 
RTR-053075 
VZ22258 
TR-053075 
2,3-Dihydro-6-isocyanato-1,4-benzodioxine 
2,3-Dihydrobenzo[1,4]dioxin-6-ylisocyanate 
FT-0609628 
6-Isocyanato-1,4-benzodioxane 
R6073 
Y6766 
1,4-Benzodioxin, 2,3-dihydro-6-isocyanato- 
2,3-dihydrobenzo[1,4]dioxin-6-yl isocyanate 
6-isocyanato-2,3-dihydro-benzo[1,4]dioxine 
6-isocyanato-2,3-dihydrobenzo[b][1,4]dioxine 
W-204357 
I14-35303 
C9H7NO3 
ZINC04277235 
1,4-Benzodioxin,2,3-dihydro-6-isocyanato- 
CID2776172 
1,4-Benzodioxin, 2,3-dihydro-6-isocyanato- (9CI) 
2,3-Dihydro-1,4-benzodioxin-6-ylisocyanate 
2,3-Dihydro-1,4-benzodioxin-6-yl-isocyanate 
AC1MCQRQ 
ACMC-1BV7L 
SCHEMBL592019 
Literature
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