CC1=C(C=C(C=C1)N)Br
CAS: 7745-91-7
Name: 3-bromo-4-methylaniline
SMILES: CC1=C(C=C(C=C1)N)Br

Molecular Processing

Molecular formula
C7H8BrN
Molecular weight
186.05
Exact mass
184.984
XLogP
2.34
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
43.29

Supplementary Information

InChIKey: GRXMMIBZRMKADT-UHFFFAOYSA-N
Synonyme
3-Bromo-4-methylaniline7745-91-73-Bromo-p-toluidineBenzenamine, 3-bromo-4-methyl-p-Toluidine, 3-bromo-3-Bromo-1,4-toluidineEINECS 231-807-8NSC 139873BRN 1562057GRXMMIBZRMKADT-UHFFFAOYSA-DTXSID002281614-12-00-01991 (Beilstein Handbook Reference)RefChem:561718DTXCID20150652Benzenamine, 3-bromo-4-methyl-(9CI)231-807-8InChI=1/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H33-Bromo-4-methyl-phenylamineMFCD001341763-bromo-4-methylphenylamineEN300-297114-Amino-2-bromotoluene3-bromo-4-methyl-aniline3-bromo-4-methylbenzenamineNSC1398733-bromo4-methylanilineBenzenamine, 3-bromo-4-methyl- (9CI)2-bromo-4-aminotoluene3-bromo-4-methyl anilineWLN: ZR CE D1
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