Name: Name:Benzoic acid, 2-amino-4-(3-chloropropoxy)-5-methoxy-, methyl ester
Brand: Angene
SKU: AG00I45C
Rating: 90 (10 reviews)

Benzoic acid, 2-amino-4-(3-chloropropoxy)-5-methoxy-, methyl ester

CAS No.:

214470-59-4

Catalog Number:

AG00I45C

Molecular Formula:

C12H16ClNO4

Molecular Weight:

273.7127

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$547

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Product Description

Catalog Number:

AG00I45C

Chemical Name:

Benzoic acid, 2-amino-4-(3-chloropropoxy)-5-methoxy-, methyl ester

CAS Number:

214470-59-4

Molecular Formula:

C12H16ClNO4

Molecular Weight:

273.7127

MDL Number:

MFCD20266170

IUPAC Name:

methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate

InChI:

InChI=1S/C12H16ClNO4/c1-16-10-6-8(12(15)17-2)9(14)7-11(10)18-5-3-4-13/h6-7H,3-5,14H2,1-2H3

InChI Key:

MWAMTEYWDWYKQO-UHFFFAOYSA-N

SMILES:

ClCCCOc1cc(N)c(cc1OC)C(=O)OC

Properties

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.713g/mol

Monoisotopic Mass:

273.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Methyl 2-amino-4-(3-chloro-prop-oxy)-5-methoxy-benzoate.	Acta crystallographica. Section E, Structure reports online 20090501