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149910-98-5 | 1H-2-Benzopyran, 7-bromo-3,4-dihydro-
CAS No: 149910-98-5 Catalog No: AG001M4Q MDL No:MFCD20040068
Product Description
Catalog Number:
AG001M4Q
Chemical Name:
1H-2-Benzopyran, 7-bromo-3,4-dihydro-
CAS Number:
149910-98-5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD20040068
IUPAC Name:
7-bromo-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C9H9BrO/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5H,3-4,6H2
InChI Key:
CHBQZLRHIRLMBX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)COCC2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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