tert-butyl 4-amino-3-methylbenzoate

tert-butyl 4-amino-3-methylbenzoate

CAS: 934481-43-3

Formula: C12H17NO2

SMILES: CC1=CC(=CC=C1N)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-amino-3-methylbenzoate

InChI: InChI=1S/C12H17NO2/c1-8-7-9(5-6-10(8)13)11(14)15-12(2,3)4/h5-7H,13H2,1-4H3

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.125928791
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HFMIRAQWPTZEAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.63
Topological Polar Surface Area	52.32
Polarizability	23.17
Ring Count	1
Rotatable Bond Count	3

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