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1388074-41-6 | 2-(3-bromo-2-methylphenyl)ethan-1-amine
CAS No: 1388074-41-6 Catalog No: AG01BKAJ MDL No:MFCD22560754
Product Description
Catalog Number:
AG01BKAJ
Chemical Name:
2-(3-bromo-2-methylphenyl)ethan-1-amine
CAS Number:
1388074-41-6
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD22560754
IUPAC Name:
2-(3-bromo-2-methylphenyl)ethanamine
InChI:
InChI=1S/C9H12BrN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5-6,11H2,1H3
InChI Key:
SDIFZRQYCSLOHO-UHFFFAOYSA-N
SMILES:
Cc1c(CCN)cccc1Br
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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