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4-methyl-1H-1,3-benzodiazol-2-amine hydrobromide

4-methyl-1H-1,3-benzodiazol-2-amine hydrobromide

CAS: 1609406-56-5

Formula: C8H10BrN3

SMILES: Br.CC1=C2N=C(N)NC2=CC=C1

IUPAC: 4-methyl-1H-1,3-benzodiazol-2-amine hydrobromide

InChI: InChI=1S/C8H9N3.BrH/c1-5-3-2-4-6-7(5)11-8(9)10-6;/h2-4H,1H3,(H3,9,10,11);1H

Composition: C (42.13%), H (4.42%), Br (35.03%), N (18.42%)

Molar Mass: 228.093

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.00581
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MWUOXZPXPNCGHX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.18
Topological Polar Surface Area 54.7
Polarizability 17.57
Ring Count 2
Rotatable Bond Count 0

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