methyl 3-amino-4-chloro-2-methylbenzoate

methyl 3-amino-4-chloro-2-methylbenzoate

CAS: 190367-58-9

Formula: C9H10ClNO2

SMILES: COC(=O)C1=CC=C(Cl)C(N)=C1C

IUPAC: methyl 3-amino-4-chloro-2-methylbenzoate

InChI: InChI=1S/C9H10ClNO2/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4H,11H2,1-2H3

Composition: C (54.15%), H (5.05%), Cl (17.76%), N (7.02%), O (16.03%)

Molar Mass: 199.63

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.0400063
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GRLIJZQYYIKCEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.63
Topological Polar Surface Area	52.32
Polarizability	19.57
Ring Count	1
Rotatable Bond Count	2

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