AG002MXH

23351-05-5 | Benzaldehyde, 4-(1H-pyrrol-1-yl)-

AG002MXH

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CAS Number	23351-05-5
Catalog Number	AG002MXH(AGN-PC-0JTJUK)
Chemical Name	Benzaldehyde, 4-(1H-pyrrol-1-yl)-
IUPAC Name	4-pyrrol-1-ylbenzaldehyde
InChI	InChI=1S/C11H9NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-9H
InChI Key	VMNADOXDGZJTBJ-UHFFFAOYSA-N
MDL Number	MFCD03822126
Molecular Formula	C11H9NO
Molecular Weight	171.1953
SMILES	O=CC1=CC=C(C=C1)N1C=CC=C1
Synonyms	4-(1H-Pyrrol-1-yl)benzaldehyde, 23351-05-5, 4-Pyrrol-1-yl-benzaldehyde, 4-pyrrol-1-ylbenzaldehyde, 4-Pyrrolylbenzaldehyde, Benzaldehyde,4-(1H-pyrrol-1-yl)-, 4-(1-pyrrolyl)benzaldehyde, VMNADOXDGZJTBJ-UHFFFAOYSA-N, Benzaldehyde, 4-(1H-pyrrol-1-yl)-, AC1LCBZU, 4-(pyrrol-1-yl)benzaldehyde, SCHEMBL835187, CTK4F1339, DTXSID70344680, ZINC159034, ACT08189, KS-000024OK, 4-(1H-Pyrrol-1-yl)benzaldehyde #, ANW-75235, MFCD03822126, SBB088509, AKOS006222056, DS-2399, RP02664, TRA0076210, VZ29708, AJ-15453, AK-16215, EN002130, ZB007186, AB0040724, TC-163980, 4CH-004195, CS-0030453, FT-0616482, ST24028728, Y8370, 4-(1H-Pyrrol-1-yl)benzaldehyde, AldrichCPR, M-9971, A816680, W-205316, W-206823, I14-108690, C11H9NO, 4-(1-Pyrrolidinyl)benzaldehyde, 3-(1H-Pyrrol-1-yl)benzaldehyde, CID598781, ZINC00159034,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.199g/mol
Monoisotopic Mass	171.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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