tert-butyl 4-amino-2-chlorobenzoate

tert-butyl 4-amino-2-chlorobenzoate

CAS: 75294-49-4

Formula: C11H14ClNO2

SMILES: CC(C)(C)OC(=O)C1=C(Cl)C=C(N)C=C1

IUPAC: tert-butyl 4-amino-2-chlorobenzoate

InChI: InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3

Composition: C (58.03%), H (6.20%), Cl (15.57%), N (6.15%), O (14.05%)

Molar Mass: 227.69

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.0713064
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LLOXEUOQRNPJJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.39
Topological Polar Surface Area	52.32
Polarizability	23.32
Ring Count	1
Rotatable Bond Count	3

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