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1039975-01-3 | [(4-bromothiophen-2-yl)methyl](pyridin-2-ylmethyl)amine
CAS No: 1039975-01-3 Catalog No: AG01B0MR MDL No:MFCD11175370
Product Description
Catalog Number:
AG01B0MR
Chemical Name:
[(4-bromothiophen-2-yl)methyl](pyridin-2-ylmethyl)amine
CAS Number:
1039975-01-3
Molecular Formula:
C11H11BrN2S
Molecular Weight:
283.1874
MDL Number:
MFCD11175370
IUPAC Name:
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
InChI:
InChI=1S/C11H11BrN2S/c12-9-5-11(15-8-9)7-13-6-10-3-1-2-4-14-10/h1-5,8,13H,6-7H2
InChI Key:
IQODWUMAKTZFNK-UHFFFAOYSA-N
SMILES:
Brc1csc(c1)CNCc1ccccn1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.983g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.187g/mol
Monoisotopic Mass:
281.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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