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115822-64-5 | 2H-1-Benzopyran, 3-(chloromethyl)-3,4-dihydro-
CAS No: 115822-64-5 Catalog No: AG000GWM MDL No:
Product Description
Catalog Number:
AG000GWM
Chemical Name:
2H-1-Benzopyran, 3-(chloromethyl)-3,4-dihydro-
CAS Number:
115822-64-5
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
3-(chloromethyl)-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C10H11ClO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8H,5-7H2
InChI Key:
IWQDLTXWJODHGG-UHFFFAOYSA-N
SMILES:
ClCC1COc2c(C1)cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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