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777838-05-8 | Benzeneethanamine,4-bromo-2-methyl-
CAS No: 777838-05-8 Catalog No: AG008OH6 MDL No:MFCD14582922
Product Description
Catalog Number:
AG008OH6
Chemical Name:
Benzeneethanamine,4-bromo-2-methyl-
CAS Number:
777838-05-8
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD14582922
IUPAC Name:
2-(4-bromo-2-methylphenyl)ethanamine
InChI:
InChI=1S/C9H12BrN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4-5,11H2,1H3
InChI Key:
FCVBXOOAKYDRNK-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1C)Br
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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