| CAS Number | 52977-63-6 |
| Catalog Number | AG00DLMU(AGN-PC-0MYTT8) |
| Chemical Name | 4,7-DICHLORO-1-INDANONE |
| IUPAC Name | 4,7-dichloro-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H6Cl2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2 |
| InChI Key | CRYBQWFSLAUFPD-UHFFFAOYSA-N |
| MDL Number | MFCD16876799 |
| Molecular Formula | C9H6Cl2O |
| Molecular Weight | 201.0493 |
| SMILES | ClC1=C2CCC(C2=C(C=C1)Cl)=O |
| Synonyms | 4,7-dichloro-2,3-dihydro-1H-inden-1-one,
52977-63-6,
4,7-Dichloro-1-indanone,
1H-Inden-1-one, 4,7-dichloro-2,3-dihydro-,
KS-00000TV0,
MFCD16876799,
ZINC34216863,
AKOS026739280,
AK548506,
DS-19447,
CS-0030410,
4,7-dichloro-2,3-dihydroinden-1-one,
CID10104266,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.046g/mol |
| Monoisotopic Mass | 199.98g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number