4-bromo-5-methoxy-2-methylaniline

4-bromo-5-methoxy-2-methylaniline

CAS: 152626-77-2

Formula: C8H10BrNO

SMILES: COC1=CC(N)=C(C)C=C1Br

IUPAC: 4-bromo-5-methoxy-2-methylaniline

InChI: InChI=1S/C8H10BrNO/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4H,10H2,1-2H3

Composition: C (44.47%), H (4.66%), Br (36.98%), N (6.48%), O (7.40%)

Molar Mass: 216.078

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.994577
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HCWSMYJWPZRXOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.89
Topological Polar Surface Area	35.25
Polarizability	18.57
Ring Count	1
Rotatable Bond Count	1

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