Home Halogens 1-(bromomethyl)-3,4-dihydro-1H-2-benzopyran

1-(bromomethyl)-3,4-dihydro-1H-2-benzopyran

CAS No.:
99070-15-2
Catalog Number:
AG01AIAG
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
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Product Description
Catalog Number:
AG01AIAG
Chemical Name:
1-(bromomethyl)-3,4-dihydro-1H-2-benzopyran
CAS Number:
99070-15-2
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD18917269
IUPAC Name:
1-(bromomethyl)-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C10H11BrO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7H2
InChI Key:
YPRJYWJXSMVWPD-UHFFFAOYSA-N
SMILES:
BrCC1OCCc2c1cccc2
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties