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120277-12-5 | 3-(Bromomethyl);-4-methylpyridine
CAS No: 120277-12-5 Catalog No: AG003I75 MDL No:MFCD11520714
Product Description
Catalog Number:
AG003I75
Chemical Name:
3-(Bromomethyl);-4-methylpyridine
CAS Number:
120277-12-5
Molecular Formula:
C7H8BrN
Molecular Weight:
186.0491
MDL Number:
MFCD11520714
IUPAC Name:
3-(bromomethyl)-4-methylpyridine
InChI:
InChI=1S/C7H8BrN/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,4H2,1H3
InChI Key:
QIRQFJIEBRJAES-UHFFFAOYSA-N
SMILES:
BrCc1cnccc1C
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.052g/mol
Monoisotopic Mass:
184.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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