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4-bromo-6-methylbenzene-1,3-diamine

4-bromo-6-methylbenzene-1,3-diamine

CAS: 141922-21-6

Formula: C7H9BrN2

SMILES: CC1=CC(Br)=C(N)C=C1N

IUPAC: 4-bromo-6-methylbenzene-1,3-diamine

InChI: InChI=1S/C7H9BrN2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,9-10H2,1H3

Composition: C (41.82%), H (4.51%), Br (39.74%), N (13.93%)

Molar Mass: 201.067

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.994911
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FDDVBSOQTGPIGR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.12
Topological Polar Surface Area 52.04
Polarizability 17.18
Ring Count 1
Rotatable Bond Count 0

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98% <6 Days 141922-21-6 $246.10-$1,386.90$246.10$572.70$844.10$1,386.90
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