AG002Q6C

25016-02-8 | Benzaldehyde, 2-methoxy-5-nitro-

AG002Q6C

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CAS Number	25016-02-8
Catalog Number	AG002Q6C(AGN-PC-0JLYT0)
Chemical Name	Benzaldehyde, 2-methoxy-5-nitro-
IUPAC Name	2-methoxy-5-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3
InChI Key	YWVSKFXYEWMHEO-UHFFFAOYSA-N
MDL Number	MFCD02093683
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=CC1=CC([N+]([O-])=O)=CC=C1OC
Synonyms	2-Methoxy-5-nitrobenzaldehyde, 25016-02-8, Benzaldehyde, 2-methoxy-5-nitro-, Benzaldehyde,2-methoxy-5-nitro-, ACMC-20anru, AC1Q1ZML, AC1L3KI6, 2-methoxy-5-nitro-benzaldehyde, SCHEMBL1098465, DTXSID1067041, CTK4F4810, YWVSKFXYEWMHEO-UHFFFAOYSA-N, ALBB-026229, ZINC2389311, MFCD02093683, SBB072924, STK397884, 2-Methoxy-5-nitrobenzaldehyde, 97%, AKOS000290640, AKOS015889427, CM-1654, MCULE-8733445637, VZ24856, AJ-35566, AK-92995, DS-17745, DB-046602, ST2401815, TC-170481, 4CH-019415, CS-0043160, FT-0638484, ST45029597, W-3765, J-015775, I01-18170, C8-H7-N-O4, CID90685, AR-1E3120, 25479-85-0,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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