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1493431-21-2 | 9H-Xanthene, 9-(bromomethyl)-
CAS No: 1493431-21-2 Catalog No: AG01FF76 MDL No:
Product Description
Catalog Number:
AG01FF76
Chemical Name:
9H-Xanthene, 9-(bromomethyl)-
CAS Number:
1493431-21-2
Molecular Formula:
C14H11BrO
Molecular Weight:
275.1405
IUPAC Name:
9-(bromomethyl)-9H-xanthene
InChI:
InChI=1S/C14H11BrO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9H2
InChI Key:
ZXPHUCIOJLDRGA-UHFFFAOYSA-N
SMILES:
BrCC1c2ccccc2Oc2c1cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.145g/mol
Monoisotopic Mass:
273.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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