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182949-90-2 | 1H-2-Benzopyran, 6-bromo-3,4-dihydro-
CAS No: 182949-90-2 Catalog No: AG00249R MDL No:MFCD11226898
Product Description
Catalog Number:
AG00249R
Chemical Name:
1H-2-Benzopyran, 6-bromo-3,4-dihydro-
CAS Number:
182949-90-2
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD11226898
IUPAC Name:
6-bromo-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C9H9BrO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6H2
InChI Key:
LHXQWWFCWFMCHO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCOC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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