AG0013RF

13772-63-9 | 1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester

AG0013RF

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CAS Number	13772-63-9
Catalog Number	AG0013RF(AGN-PC-0JNWBJ)
Chemical Name	1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester
IUPAC Name	methyl 3-nitronaphthalene-1-carboxylate
InChI	InChI=1S/C12H9NO4/c1-17-12(14)11-7-9(13(15)16)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChI Key	QFUDSCNJHFVWIB-UHFFFAOYSA-N
MDL Number	MFCD00085480
Molecular Formula	C12H9NO4
Molecular Weight	231.2042
NSC Number	92791
SMILES	O=C(OC)C1=C2C=CC=CC2=CC([N+]([O-])=O)=C1
Synonyms	methyl 3-nitro-1-naphthoate, 13772-63-9, methyl 3-nitronaphthalene-1-carboxylate, 3-Nitro-naphthalene-1-carboxylic acid methyl ester, 1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester, NSC92791, AC1Q20JP, Methyl3-Nitro-1-naphthoate, AC1L647Y, SCHEMBL2152969, CTK0I1628, DTXSID30293887, QFUDSCNJHFVWIB-UHFFFAOYSA-N, KS-00000BW1, ZINC1598525, 4261AJ, MFCD00085480, NSC-92791, AC-29530, AJ-27903, CS-11990, DA-10991, SC-13791, SY034733, FT-0758041, MFCD00085480 (95%), Z-6320, C12H9NO4, AR-1J5189, CID260948, 13817-74-8,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.053g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.207g/mol
Monoisotopic Mass	231.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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