methyl 2-amino-3-bromo-5-chlorobenzoate

methyl 2-amino-3-bromo-5-chlorobenzoate

CAS: 101080-36-8

Formula: C8H7BrClNO2

SMILES: COC(=O)C1=C(N)C(Br)=CC(Cl)=C1

IUPAC: methyl 2-amino-3-bromo-5-chlorobenzoate

InChI: InChI=1S/C8H7BrClNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3

Composition: C (36.33%), H (2.67%), Br (30.21%), Cl (13.40%), N (5.30%), O (12.10%)

Molar Mass: 264.5

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.934869
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QKQDVOQJMQIBNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.21
Topological Polar Surface Area	52.32
Polarizability	20.78
Ring Count	1
Rotatable Bond Count	2

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