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885271-50-1 | Methyl 6,8-dichlorochroman-3-carboxylate
CAS No: 885271-50-1 Catalog No: AG0046Y1 MDL No:MFCD04114617
Product Description
Catalog Number:
AG0046Y1
Chemical Name:
Methyl 6,8-dichlorochroman-3-carboxylate
CAS Number:
885271-50-1
Molecular Formula:
C11H10Cl2O3
Molecular Weight:
261.1013
MDL Number:
MFCD04114617
IUPAC Name:
methyl 6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylate
InChI:
InChI=1S/C11H10Cl2O3/c1-15-11(14)7-2-6-3-8(12)4-9(13)10(6)16-5-7/h3-4,7H,2,5H2,1H3
InChI Key:
GEEZWTHQPWMOMW-UHFFFAOYSA-N
SMILES:
COC(=O)C1COc2c(C1)cc(cc2Cl)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.098g/mol
Monoisotopic Mass:
260.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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