138229-59-1

Chemistry, 1 End Use API, 2 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 138229-59-1, 3-formyl-2-nitrobenzoic acid methyl ester, Benzoic acid, 3-formyl-2-nitro-, methyl ester, Methyl3-formyl-2-nitrobenzoate, Ak-59657, Schembl358711

Molecular Formula

C₉H₇NO₅

Molecular Weight

209.16 g/mol

InChI Key

NSLOBVGASZUPDO-UHFFFAOYSA-N

1 2D Structure

138229-59-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-formyl-2-nitrobenzoate

2.1.2 InChI

InChI=1S/C9H7NO5/c1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14/h2-5H,1H3

2.1.3 InChI Key

NSLOBVGASZUPDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 138229-59-1

2. 3-formyl-2-nitrobenzoic Acid Methyl Ester

3. Benzoic Acid, 3-formyl-2-nitro-, Methyl Ester

4. Methyl3-formyl-2-nitrobenzoate

5. Ak-59657

6. Schembl358711

7. Dtxsid10659301

8. Methyl 2-nitro-3-aldehydebenzoate

9. Amy12262

10. Bcp20550

11. Mfcd14706049

12. Zinc72233115

13. Akos015969533

14. Sb40715

15. Methyl 3-formyl-2-nitrobenzoate, 95%

16. Ac-30679

17. Ds-16334

18. Cs-0022127

19. A886268

2.3 Create Date

2010-01-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₅
Molecular Weight	209.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	209.03242232 g/mol
Monoisotopic Mass	209.03242232 g/mol
Topological Polar Surface Area	89.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Aarti Pharmalabs

Aarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

Contact Supplier

India

Virtual Booth

Digital Content

Niraparib Tosylate

PDF Supplier PDF

URL Supplier Web Content

CAS Number

138229-59-1

Intermediate Name

3-(Methoxy carbonyl)-2-nitrobenzoic...

About the Company

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

Note: None of the products will be supplied to countries in which this could be in conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer.