MONNA

CAT: 0607-BA6638-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6638-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1572936-83-4

Form

A solid

Molecular Formula

C18H14N2O5

Molecular Weight

338.31

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Monna

CAS Number	1572936-83-4
PubChem CID	72165188
IUPAC Name	2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid
Molecular Formula	C18H14N2O5
Molecular Weight	338.3
XLogP	4.6
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	494

SMILES

COC1=CC(=CC2=CC=CC=C21)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)

InChIKey

JIVRLHBAUUZTNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1572936-83-4

CID: 72165188

Formula: C18H14N2O5

MW: 338.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.3
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	338.09027155
Monoisotopic Mass	338.09027155
Topological Polar Surface Area	104 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	494
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
Compound Is Canonicalized	Yes