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116468-99-6 | Benzenamine, 3-methyl-, hydrobromide (1:1)
CAS No: 116468-99-6 Catalog No: AG000CKT MDL No:
Product Description
Catalog Number:
AG000CKT
Chemical Name:
Benzenamine, 3-methyl-, hydrobromide (1:1)
CAS Number:
116468-99-6
Molecular Formula:
C7H10BrN
Molecular Weight:
188.0650
IUPAC Name:
3-methylaniline;hydrobromide
InChI:
InChI=1S/C7H9N.BrH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H
InChI Key:
AMKUKQWAGRSEGF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N.Br
Properties
Complexity:
70.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.068g/mol
Monoisotopic Mass:
187g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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