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115104-25-1 | Quinoline, 2-(bromomethyl)-7-chloro-
CAS No: 115104-25-1 Catalog No: AG000GAU MDL No:MFCD08544559
Product Description
Catalog Number:
AG000GAU
Chemical Name:
Quinoline, 2-(bromomethyl)-7-chloro-
CAS Number:
115104-25-1
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
MDL Number:
MFCD08544559
IUPAC Name:
2-(bromomethyl)-7-chloroquinoline
InChI:
InChI=1S/C10H7BrClN/c11-6-9-4-2-7-1-3-8(12)5-10(7)13-9/h1-5H,6H2
InChI Key:
WJOPLBNTJYROCF-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(n1)cc(cc2)Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.945g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.527g/mol
Monoisotopic Mass:
254.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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