3-bromo-4-fluorobenzene-1,2-diamine

3-bromo-4-fluorobenzene-1,2-diamine

CAS: 1257535-06-0

Formula: C6H6BrFN2

SMILES: NC1=CC=C(F)C(Br)=C1N

IUPAC: 3-bromo-4-fluorobenzene-1,2-diamine

InChI: InChI=1S/C6H6BrFN2/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,9-10H2

Composition: C (35.15%), H (2.95%), Br (38.97%), F (9.27%), N (13.66%)

Molar Mass: 205.03

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.969839
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	TVBIACHAJVSZDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.3
Topological Polar Surface Area	52.04
Polarizability	15.32
Ring Count	1
Rotatable Bond Count	0

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