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192642-94-7 | 2-Pyridinemethanol, 4-bromo-, 2-acetate
CAS No: 192642-94-7 Catalog No: AG002G6B MDL No:MFCD12407823
Product Description
Catalog Number:
AG002G6B
Chemical Name:
2-Pyridinemethanol, 4-bromo-, 2-acetate
CAS Number:
192642-94-7
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD12407823
IUPAC Name:
(4-bromopyridin-2-yl)methyl acetate
InChI:
InChI=1S/C8H8BrNO2/c1-6(11)12-5-8-4-7(9)2-3-10-8/h2-4H,5H2,1H3
InChI Key:
NAODUHQACVSGGR-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cc(Br)ccn1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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