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125114-77-4 | 1H-Inden-1-one, 7-bromo-2,3-dihydro-
CAS No: 125114-77-4 Catalog No: AG000N82 MDL No:MFCD06796574
Product Description
Catalog Number:
AG000N82
Chemical Name:
1H-Inden-1-one, 7-bromo-2,3-dihydro-
CAS Number:
125114-77-4
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD06796574
IUPAC Name:
7-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChI Key:
ZWEODBMKCBWTTQ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(Br)ccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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