methyl 2-chloro-5-(dimethylamino)benzoate

methyl 2-chloro-5-(dimethylamino)benzoate

CAS: 137548-16-4

Formula: C10H12ClNO2

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

IUPAC: methyl 2-chloro-5-(dimethylamino)benzoate

InChI: InChI=1S/C10H12ClNO2/c1-12(2)7-4-5-9(11)8(6-7)10(13)14-3/h4-6H,1-3H3

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.0556563
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PQXJXWHRTKTFAJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.32
Topological Polar Surface Area	29.54
Polarizability	21.47
Ring Count	1
Rotatable Bond Count	3

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