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698-19-1

698-19-1 | 1-(2-Bromophenyl)-N-methylmethanamine

CAS No: 698-19-1 Catalog No: AG003BM2 MDL No:MFCD05262953

Product Description

Catalog Number:
AG003BM2
Chemical Name:
1-(2-Bromophenyl)-N-methylmethanamine
CAS Number:
698-19-1
Molecular Formula:
C8H10BrN
Molecular Weight:
200.0757
MDL Number:
MFCD05262953
IUPAC Name:
1-(2-bromophenyl)-N-methylmethanamine
InChI:
InChI=1S/C8H10BrN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChI Key:
TUADRPBKJHMHDH-UHFFFAOYSA-N
SMILES:
CNCc1ccccc1Br

Properties

Complexity:
95.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.079g/mol
Monoisotopic Mass:
199g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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