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101279-39-4 | Quinoline, 6-(bromomethyl)-
CAS No: 101279-39-4 Catalog No: AG00044A MDL No:MFCD12025334
Product Description
Catalog Number:
AG00044A
Chemical Name:
Quinoline, 6-(bromomethyl)-
CAS Number:
101279-39-4
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD12025334
IUPAC Name:
6-(bromomethyl)quinoline
InChI:
InChI=1S/C10H8BrN/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2
InChI Key:
ZPTNKPYDDZEAPA-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)cccn2
NSC Number:
12795
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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