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Home > Bromides > 2137625-01-3
2137625-01-3 | 6-(bromomethyl)-3,4-dihydro-1H-2-benzopyran
CAS No: 2137625-01-3 Catalog No: AG01ELVZ MDL No:MFCD31592808
Product Description
Catalog Number:
AG01ELVZ
Chemical Name:
6-(bromomethyl)-3,4-dihydro-1H-2-benzopyran
CAS Number:
2137625-01-3
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD31592808
IUPAC Name:
6-(bromomethyl)-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C10H11BrO/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5H,3-4,6-7H2
InChI Key:
GGLKCBKWJTXLMD-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)CCOC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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